(1S)-cyclohex-3-ene-1-carboxamide

C7H11NO — CID 51410670

IUPAC(1S)-cyclohex-3-ene-1-carboxamide
SMILESNC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)/t6-/m1/s1
InChIKeyVSCLUBLXOWRBCQ-ZCFIWIBFSA-N
MW125.17 g/mol
LogP0.83
Rot. Bonds1

About (1S)-cyclohex-3-ene-1-carboxamide

(1S)-cyclohex-3-ene-1-carboxamide (PubChem CID 51410670) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S)-cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-cyclohex-3-ene-1-carboxamide
PubChem CID51410670
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1S)-cyclohex-3-ene-1-carboxamide
SMILESNC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)/t6-/m1/s1
InChIKeyVSCLUBLXOWRBCQ-ZCFIWIBFSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-cyclohex-3-ene-1-carboxamide (CID 51410670) is (1S)-cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-cyclohex-3-ene-1-carboxamide is NC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-cyclohex-3-ene-1-carboxamide?
The InChIKey is VSCLUBLXOWRBCQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)/t6-/m1/s1.
What are the key properties of (1S)-cyclohex-3-ene-1-carboxamide?
(1S)-cyclohex-3-ene-1-carboxamide has a molecular weight of 125.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51410670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).