3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide

C12H19NO — CID 163192795

IUPAC3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide
SMILESCC1=CC2C(CC1)C2(C)CCC(N)=O
InChIInChI=1S/C12H19NO/c1-8-3-4-9-10(7-8)12(9,2)6-5-11(13)14/h7,9-10H,3-6H2,1-2H3,(H2,13,14)
InChIKeyPDAXPWKNBHXMKY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds3

About 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide

3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide (PubChem CID 163192795) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide.

Molecular Properties

Compound Name3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide
PubChem CID163192795
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide
SMILESCC1=CC2C(CC1)C2(C)CCC(N)=O
InChIInChI=1S/C12H19NO/c1-8-3-4-9-10(7-8)12(9,2)6-5-11(13)14/h7,9-10H,3-6H2,1-2H3,(H2,13,14)
InChIKeyPDAXPWKNBHXMKY-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
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

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CID 206763
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2-[(1S,3R)-2-methylidene-3-octylcyclopropyl]acetamide
CID 44264371
2-[(1R,2R)-2-butyl-3-methylidenecyclopropyl]acetamide
CID 44264063
3-[6-(Cyclopropylmethyl)-1-(trifluoromethyl)cyclohex-2-en-1-yl]propanamide
CID 117721530
2-(6-Cyclopropyl-4-fluoro-2-propan-2-ylcyclohexa-2,4-dien-1-yl)acetamide
CID 169687323
2-(Cyclohex-1-en-1-yl)butanamide
CID 294647
Allylcyclohexenylacetamid
CID 129650853
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetamide
CID 316196
2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 14414985
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 14414986
2-(3,5,5-Trimethylcyclohexen-1-yl)acetamide
CID 19768901

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide?
The IUPAC name of 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide (CID 163192795) is 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide.
What is the SMILES notation for 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide?
The canonical SMILES for 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide is CC1=CC2C(CC1)C2(C)CCC(N)=O.
What is the InChIKey of 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide?
The InChIKey is PDAXPWKNBHXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-3-4-9-10(7-8)12(9,2)6-5-11(13)14/h7,9-10H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide?
3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide has a molecular weight of 193.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide is sourced from PubChem (CID 163192795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).