2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione

C28H38N2O5 — CID 157283959

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione
SMILESCC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)OC1=O.NCC1CC2C=CC1C2.[H][2H]
InChIInChI=1S/C14H17NO2.C8H13N.C6H6O3.H2/c1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10;9-5-8-4-6-1-2-7(8)3-6;1-3-4(2)6(8)9-5(3)7;/h3-4,10-12H,5-7H2,1-2H3;1-2,6-8H,3-5,9H2;1-2H3;1H/i;;;1+1
InChIKeyAZZUSPZJJGIMCY-SGNQUONSSA-N
MW483.63 g/mol
LogP3.71
Rot. Bonds3

About 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione

2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione (PubChem CID 157283959) has the molecular formula C28H38N2O5 and a molecular weight of 483.63 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione
PubChem CID157283959
Molecular FormulaC28H38N2O5
Molecular Weight483.63 g/mol
Exact Mass483.28
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione
SMILESCC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)OC1=O.NCC1CC2C=CC1C2.[H][2H]
InChIInChI=1S/C14H17NO2.C8H13N.C6H6O3.H2/c1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10;9-5-8-4-6-1-2-7(8)3-6;1-3-4(2)6(8)9-5(3)7;/h3-4,10-12H,5-7H2,1-2H3;1-2,6-8H,3-5,9H2;1-2H3;1H/i;;;1+1
InChIKeyAZZUSPZJJGIMCY-SGNQUONSSA-N
XLogP3.71
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
CID 169244944
1-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-3,4-dimethyl-5-methylidenepyrrol-2-one
CID 166912506
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 44889483
3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 126830697
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;3,4-dimethyl-1-[[5-methyl-6-[3-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]methyl]pyrrole-2,5-dione;5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 161426173
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione
CID 146533179
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
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,5-dimethylcyclopent-4-ene-1,3-dione
CID 118400317
1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 155351259
ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate
CID 98108430
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 98124188
1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 126624459

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione (CID 157283959) is 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione is CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)OC1=O.NCC1CC2C=CC1C2.[H][2H].
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione?
The InChIKey is AZZUSPZJJGIMCY-SGNQUONSSA-N. The full InChI is InChI=1S/C14H17NO2.C8H13N.C6H6O3.H2/c1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10;9-5-8-4-6-1-2-7(8)3-6;1-3-4(2)6(8)9-5(3)7;/h3-4,10-12H,5-7H2,1-2H3;1-2,6-8H,3-5,9H2;1-2H3;1H/i;;;1+1.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione?
2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione has a molecular weight of 483.63 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione is sourced from PubChem (CID 157283959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).