3-(4-oxocyclohex-2-en-1-yl)propanamide

C9H13NO2 — CID 21110355

IUPAC3-(4-oxocyclohex-2-en-1-yl)propanamide
SMILESNC(=O)CCC1C=CC(=O)CC1
InChIInChI=1S/C9H13NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1,4,7H,2-3,5-6H2,(H2,10,12)
InChIKeyHQNZLBRWMIOAHQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.79
Rot. Bonds3

About 3-(4-oxocyclohex-2-en-1-yl)propanamide

3-(4-oxocyclohex-2-en-1-yl)propanamide (PubChem CID 21110355) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(4-oxocyclohex-2-en-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxocyclohex-2-en-1-yl)propanamide
PubChem CID21110355
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(4-oxocyclohex-2-en-1-yl)propanamide
SMILESNC(=O)CCC1C=CC(=O)CC1
InChIInChI=1S/C9H13NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1,4,7H,2-3,5-6H2,(H2,10,12)
InChIKeyHQNZLBRWMIOAHQ-UHFFFAOYSA-N
XLogP0.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
CID 127039230
2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide
CID 131168921
(S)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720282
Cyclohex-2-en-acetamide
CID 14143177
Cyclohexene-1,3-dicarboxamide
CID 67852299
2,2-Difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 175486178
4-Prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10103498
3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide
CID 11217774
3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide
CID 14395474
Allylcyclohexenylacetamid
CID 129650853
2-Oxocyclohex-3-ene-1-carboxamide
CID 175647214
(Z)-2-(2-ethylhexyl)but-2-enediamide
CID 17877442

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocyclohex-2-en-1-yl)propanamide?
The IUPAC name of 3-(4-oxocyclohex-2-en-1-yl)propanamide (CID 21110355) is 3-(4-oxocyclohex-2-en-1-yl)propanamide.
What is the SMILES notation for 3-(4-oxocyclohex-2-en-1-yl)propanamide?
The canonical SMILES for 3-(4-oxocyclohex-2-en-1-yl)propanamide is NC(=O)CCC1C=CC(=O)CC1.
What is the InChIKey of 3-(4-oxocyclohex-2-en-1-yl)propanamide?
The InChIKey is HQNZLBRWMIOAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1,4,7H,2-3,5-6H2,(H2,10,12).
What are the key properties of 3-(4-oxocyclohex-2-en-1-yl)propanamide?
3-(4-oxocyclohex-2-en-1-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocyclohex-2-en-1-yl)propanamide is sourced from PubChem (CID 21110355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).