2-[(1S)-cyclohex-3-en-1-yl]acetamide

C8H13NO — CID 15475741

IUPAC2-[(1S)-cyclohex-3-en-1-yl]acetamide
SMILESNC(=O)C[C@@H]1CC=CCC1
InChIInChI=1S/C8H13NO/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H2,9,10)/t7-/m1/s1
InChIKeyCJTUPGKKDVXUSS-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds2

About 2-[(1S)-cyclohex-3-en-1-yl]acetamide

2-[(1S)-cyclohex-3-en-1-yl]acetamide (PubChem CID 15475741) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(1S)-cyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclohex-3-en-1-yl]acetamide
PubChem CID15475741
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(1S)-cyclohex-3-en-1-yl]acetamide
SMILESNC(=O)C[C@@H]1CC=CCC1
InChIInChI=1S/C8H13NO/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H2,9,10)/t7-/m1/s1
InChIKeyCJTUPGKKDVXUSS-SSDOTTSWSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo(2.2.1)hept-5-ene-2-carboxamide
CID 96112
Npc141743
CID 5365367
1-Methylcyclohex-3-ene-1-carboximidic acid
CID 3052840
3-Cyclohexene-1-carboxamide
CID 301015
3,7-Dimethyl-6-octenamide
CID 3704098
Propylallylacetamide
CID 146140
2-(Cyclopent-2-en-1-yl)acetamide
CID 247160
6-Nonenamide, 8-methyl-, (E)-
CID 547889
Cyclohex-2-en-acetamide
CID 14143177
Bicyclo[2.2.1]hept-2-ene-1-carboxamide
CID 19808076
Hept-5-ene-2-carboxamide
CID 21660794
Tetrahydrophthalamide
CID 23502542

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclohex-3-en-1-yl]acetamide?
The IUPAC name of 2-[(1S)-cyclohex-3-en-1-yl]acetamide (CID 15475741) is 2-[(1S)-cyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclohex-3-en-1-yl]acetamide?
The canonical SMILES for 2-[(1S)-cyclohex-3-en-1-yl]acetamide is NC(=O)C[C@@H]1CC=CCC1.
What is the InChIKey of 2-[(1S)-cyclohex-3-en-1-yl]acetamide?
The InChIKey is CJTUPGKKDVXUSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H2,9,10)/t7-/m1/s1.
What are the key properties of 2-[(1S)-cyclohex-3-en-1-yl]acetamide?
2-[(1S)-cyclohex-3-en-1-yl]acetamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 15475741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).