N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide

C11H17NO — CID 4301039

IUPACN-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
SMILESC=CCNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H17NO/c1-2-7-12-11(13)10-8-5-3-4-6-9(8)10/h2,8-10H,1,3-7H2,(H,12,13)
InChIKeyZJBYCFAGOANHPB-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.72
Rot. Bonds3

About N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide

N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 4301039) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID4301039
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
SMILESC=CCNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H17NO/c1-2-7-12-11(13)10-8-5-3-4-6-9(8)10/h2,8-10H,1,3-7H2,(H,12,13)
InChIKeyZJBYCFAGOANHPB-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.72
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

N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98532681
3-(prop-2-enylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665272
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
3-(cyclohexylamino)-N-prop-2-enylpropanamide
CID 109011800
N-prop-2-enylthiane-3-carboxamide
CID 110848141
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide (CID 4301039) is N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide is C=CCNC(=O)C1C2CCCCC21.
What is the InChIKey of N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is ZJBYCFAGOANHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-7-12-11(13)10-8-5-3-4-6-9(8)10/h2,8-10H,1,3-7H2,(H,12,13).
What are the key properties of N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide?
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 4301039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).