1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C12H16N2O2 — CID 66751359

IUPAC1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESC=CCC12C=CC(C1)C(C(N)=O)C2C(N)=O
InChIInChI=1S/C12H16N2O2/c1-2-4-12-5-3-7(6-12)8(10(13)15)9(12)11(14)16/h2-3,5,7-9H,1,4,6H2,(H2,13,15)(H2,14,16)
InChIKeyIPMPCSMYVMKLCM-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.34
Rot. Bonds4

About 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 66751359) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID66751359
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESC=CCC12C=CC(C1)C(C(N)=O)C2C(N)=O
InChIInChI=1S/C12H16N2O2/c1-2-4-12-5-3-7(6-12)8(10(13)15)9(12)11(14)16/h2-3,5,7-9H,1,4,6H2,(H2,13,15)(H2,14,16)
InChIKeyIPMPCSMYVMKLCM-UHFFFAOYSA-N
XLogP0.34
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bicyclo(2.2.1)hept-5-ene-2-carboxamide
CID 96112
2-Ethylbicyclo(2.2.1)hept-5-ene-2-carboximidic acid
CID 96895
2-Norbornene-5-exo-carboxamide, 5-endo-methyl-
CID 98247
2-Norbornene-5-endo-carboxamide, 5-exo-butyl-
CID 3052857
2-Norbornene-5-endo-carboxamide, 5-exo-cyclopropyl-
CID 3052860
2-Norbornene-5-endo-carboxamide, 5-exo-isopropyl-
CID 3052861
2-Norbornene-5-endo-carboxamide, 5-exo-propyl-
CID 3052862
(2r)-2-Methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 260720
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide
CID 89426467
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboximidic acid
CID 428424
2-(N,N-dimethylaminoethyl)norborn-5-ene-2-ylcarboxylic amide
CID 129835255
2-Isopentylphthalamide
CID 134691368

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 66751359) is 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is C=CCC12C=CC(C1)C(C(N)=O)C2C(N)=O.
What is the InChIKey of 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is IPMPCSMYVMKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-4-12-5-3-7(6-12)8(10(13)15)9(12)11(14)16/h2-3,5,7-9H,1,4,6H2,(H2,13,15)(H2,14,16).
What are the key properties of 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 66751359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).