1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene

C104H146N4O10 — CID 158856340

IUPAC1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2C1CC1.C1=CC2CC1CC2CCCCCCCC1CC1.C1=CC2CC1CC2COCC1CO1.CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCCCCC2CC3C=CC2C3)C1=O
InChIInChI=1S/C19H27NO2.C17H23NO2.C17H28.C16H21NO2.C14H17NO2.C11H16O2.C10H14/c1-13-14(2)19(22)20(18(13)21)10-6-4-3-5-7-16-11-15-8-9-17(16)12-15;1-11-12(2)17(20)18(16(11)19)8-4-3-5-14-9-13-6-7-15(14)10-13;1(2-4-6-14-8-9-14)3-5-7-16-12-15-10-11-17(16)13-15;1-10-11(2)16(19)17(15(10)18)7-3-4-13-8-12-5-6-14(13)9-12;1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10;1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11;1-2-9-5-7(1)6-10(9)8-3-4-8/h8-9,15-17H,3-7,10-12H2,1-2H3;6-7,13-15H,3-5,8-10H2,1-2H3;10-11,14-17H,1-9,12-13H2;5-6,12-14H,3-4,7-9H2,1-2H3;3-4,10-12H,5-7H2,1-2H3;1-2,8-11H,3-7H2;1-2,7-10H,3-6H2
InChIKeyJACFEMKGRQMPCE-UHFFFAOYSA-N
MW1612.33 g/mol
LogP21.08
Rot. Bonds31

About 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene

1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 158856340) has the molecular formula C104H146N4O10 and a molecular weight of 1612.33 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene
PubChem CID158856340
Molecular FormulaC104H146N4O10
Molecular Weight1612.33 g/mol
Exact Mass1611.10
IUPAC Name1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2C1CC1.C1=CC2CC1CC2CCCCCCCC1CC1.C1=CC2CC1CC2COCC1CO1.CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCCCCC2CC3C=CC2C3)C1=O
InChIInChI=1S/C19H27NO2.C17H23NO2.C17H28.C16H21NO2.C14H17NO2.C11H16O2.C10H14/c1-13-14(2)19(22)20(18(13)21)10-6-4-3-5-7-16-11-15-8-9-17(16)12-15;1-11-12(2)17(20)18(16(11)19)8-4-3-5-14-9-13-6-7-15(14)10-13;1(2-4-6-14-8-9-14)3-5-7-16-12-15-10-11-17(16)13-15;1-10-11(2)16(19)17(15(10)18)7-3-4-13-8-12-5-6-14(13)9-12;1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10;1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11;1-2-9-5-7(1)6-10(9)8-3-4-8/h8-9,15-17H,3-7,10-12H2,1-2H3;6-7,13-15H,3-5,8-10H2,1-2H3;10-11,14-17H,1-9,12-13H2;5-6,12-14H,3-4,7-9H2,1-2H3;3-4,10-12H,5-7H2,1-2H3;1-2,8-11H,3-7H2;1-2,7-10H,3-6H2
InChIKeyJACFEMKGRQMPCE-UHFFFAOYSA-N
XLogP21.08
TPSA171.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.33
LogP ≤ 521.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene (CID 158856340) is 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2C1CC1.C1=CC2CC1CC2CCCCCCCC1CC1.C1=CC2CC1CC2COCC1CO1.CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCCCCC2CC3C=CC2C3)C1=O.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is JACFEMKGRQMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2.C17H23NO2.C17H28.C16H21NO2.C14H17NO2.C11H16O2.C10H14/c1-13-14(2)19(22)20(18(13)21)10-6-4-3-5-7-16-11-15-8-9-17(16)12-15;1-11-12(2)17(20)18(16(11)19)8-4-3-5-14-9-13-6-7-15(14)10-13;1(2-4-6-14-8-9-14)3-5-7-16-12-15-10-11-17(16)13-15;1-10-11(2)16(19)17(15(10)18)7-3-4-13-8-12-5-6-14(13)9-12;1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10;1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11;1-2-9-5-7(1)6-10(9)8-3-4-8/h8-9,15-17H,3-7,10-12H2,1-2H3;6-7,13-15H,3-5,8-10H2,1-2H3;10-11,14-17H,1-9,12-13H2;5-6,12-14H,3-4,7-9H2,1-2H3;3-4,10-12H,5-7H2,1-2H3;1-2,8-11H,3-7H2;1-2,7-10H,3-6H2.
What are the key properties of 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene?
1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 1612.33 g/mol, XLogP of 21.08, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrole-2,5-dione;1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethylpyrrole-2,5-dione;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;5-cyclopropylbicyclo[2.2.1]hept-2-ene;5-(7-cyclopropylheptyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 158856340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).