bicyclo[4.1.0]hept-2-ene-7-carboxamide

C8H11NO — CID 45084050

IUPACbicyclo[4.1.0]hept-2-ene-7-carboxamide
SMILESNC(=O)C1C2C=CCCC21
InChIInChI=1S/C8H11NO/c9-8(10)7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2,(H2,9,10)
InChIKeyGDCDRCNEEQKDBC-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.68
Rot. Bonds1

About bicyclo[4.1.0]hept-2-ene-7-carboxamide

bicyclo[4.1.0]hept-2-ene-7-carboxamide (PubChem CID 45084050) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is bicyclo[4.1.0]hept-2-ene-7-carboxamide.

Molecular Properties

Compound Namebicyclo[4.1.0]hept-2-ene-7-carboxamide
PubChem CID45084050
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namebicyclo[4.1.0]hept-2-ene-7-carboxamide
SMILESNC(=O)C1C2C=CCCC21
InChIInChI=1S/C8H11NO/c9-8(10)7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2,(H2,9,10)
InChIKeyGDCDRCNEEQKDBC-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-carboxamide
CID 301015
2-(Cyclopent-2-en-1-yl)acetamide
CID 247160
3-(3,7-Dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide
CID 163192795
Cyclohex-2-en-acetamide
CID 14143177
(1S)-cyclohex-3-ene-1-carboxamide
CID 51410670
6-Cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66666374
2-[(1R)-3-fluorocyclohex-2-en-1-yl]acetamide
CID 89352509
3-[6-(Cyclopropylmethyl)cyclohex-2-en-1-yl]-4,4,4-trifluorobutanamide
CID 117721532
Cyclohept-4-ene-1-carboxamide
CID 14949722
2-[(1S)-cyclohex-3-en-1-yl]acetamide
CID 15475741
Allylcyclohexenylacetamid
CID 129650853
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide
CID 162594105

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hept-2-ene-7-carboxamide?
The IUPAC name of bicyclo[4.1.0]hept-2-ene-7-carboxamide (CID 45084050) is bicyclo[4.1.0]hept-2-ene-7-carboxamide.
What is the SMILES notation for bicyclo[4.1.0]hept-2-ene-7-carboxamide?
The canonical SMILES for bicyclo[4.1.0]hept-2-ene-7-carboxamide is NC(=O)C1C2C=CCCC21.
What is the InChIKey of bicyclo[4.1.0]hept-2-ene-7-carboxamide?
The InChIKey is GDCDRCNEEQKDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-8(10)7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2,(H2,9,10).
What are the key properties of bicyclo[4.1.0]hept-2-ene-7-carboxamide?
bicyclo[4.1.0]hept-2-ene-7-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hept-2-ene-7-carboxamide is sourced from PubChem (CID 45084050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).