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

bicyclo[4.1.0]hept-2-ene-7-carbonyl azide
CID 130004506
(1R,8S,9R)-bicyclo[6.1.0]non-2-ene-9-carbonyl chloride
CID 98072331
(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene
CID 131115214
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518
7,8-dimethylbicyclo[4.2.0]oct-2-ene
CID 58852239
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 138580530
(1R,4R,5R,6R,9E,13S,14S)-tricyclo[11.1.0.04,6]tetradec-9-ene-5,14-dicarboxylic acid
CID 51412344
(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene
CID 57381599
(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene
CID 98523968
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
CID 5337761
2-hydroxybicyclo[3.1.0]hexane-6-carboxamide
CID 150840579

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).