(4S)-4-methylcyclohexene-1-carboxamide

C8H13NO — CID 89282022

IUPAC(4S)-4-methylcyclohexene-1-carboxamide
SMILESC[C@@H]1CC=C(C(N)=O)CC1
InChIInChI=1S/C8H13NO/c1-6-2-4-7(5-3-6)8(9)10/h4,6H,2-3,5H2,1H3,(H2,9,10)/t6-/m1/s1
InChIKeyVFYQGQIKGNFPJG-ZCFIWIBFSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds1

About (4S)-4-methylcyclohexene-1-carboxamide

(4S)-4-methylcyclohexene-1-carboxamide (PubChem CID 89282022) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4S)-4-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4S)-4-methylcyclohexene-1-carboxamide
PubChem CID89282022
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4S)-4-methylcyclohexene-1-carboxamide
SMILESC[C@@H]1CC=C(C(N)=O)CC1
InChIInChI=1S/C8H13NO/c1-6-2-4-7(5-3-6)8(9)10/h4,6H,2-3,5H2,1H3,(H2,9,10)/t6-/m1/s1
InChIKeyVFYQGQIKGNFPJG-ZCFIWIBFSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Methylpropyl)dec-2-enamide
CID 163195725
1,4-Dimethylcyclohex-3-ene-1-carboximidic acid
CID 3052839
(S)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720282
Cyclohexenecarboxamide
CID 11366985
Cyclohex-2-en-acetamide
CID 14143177
Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide
CID 14686245
Bicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 45084041
Cyclohexene-1,3-dicarboxamide
CID 67852299
Ethylhexylacrylamide
CID 129627957
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
4-fluoro-N,5-dimethylcyclohexene-1-carboxamide
CID 70191204
6-Fluoro-4-methylcyclohex-3-ene-1-carboxamide
CID 89642575

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylcyclohexene-1-carboxamide?
The IUPAC name of (4S)-4-methylcyclohexene-1-carboxamide (CID 89282022) is (4S)-4-methylcyclohexene-1-carboxamide.
What is the SMILES notation for (4S)-4-methylcyclohexene-1-carboxamide?
The canonical SMILES for (4S)-4-methylcyclohexene-1-carboxamide is C[C@@H]1CC=C(C(N)=O)CC1.
What is the InChIKey of (4S)-4-methylcyclohexene-1-carboxamide?
The InChIKey is VFYQGQIKGNFPJG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-2-4-7(5-3-6)8(9)10/h4,6H,2-3,5H2,1H3,(H2,9,10)/t6-/m1/s1.
What are the key properties of (4S)-4-methylcyclohexene-1-carboxamide?
(4S)-4-methylcyclohexene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 89282022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).