3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide

C11H15NO2 — CID 11217774

IUPAC3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide
SMILESC=C[C@]1(CCC(N)=O)C=CC(=O)CC1
InChIInChI=1S/C11H15NO2/c1-2-11(8-5-10(12)14)6-3-9(13)4-7-11/h2-3,6H,1,4-5,7-8H2,(H2,12,14)/t11-/m0/s1
InChIKeyRPJLKEJYTNPWBP-NSHDSACASA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds4

About 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide

3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide (PubChem CID 11217774) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide.

Molecular Properties

Compound Name3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide
PubChem CID11217774
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide
SMILESC=C[C@]1(CCC(N)=O)C=CC(=O)CC1
InChIInChI=1S/C11H15NO2/c1-2-11(8-5-10(12)14)6-3-9(13)4-7-11/h2-3,6H,1,4-5,7-8H2,(H2,12,14)/t11-/m0/s1
InChIKeyRPJLKEJYTNPWBP-NSHDSACASA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide?
The IUPAC name of 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide (CID 11217774) is 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide.
What is the SMILES notation for 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide?
The canonical SMILES for 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide is C=C[C@]1(CCC(N)=O)C=CC(=O)CC1.
What is the InChIKey of 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide?
The InChIKey is RPJLKEJYTNPWBP-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-11(8-5-10(12)14)6-3-9(13)4-7-11/h2-3,6H,1,4-5,7-8H2,(H2,12,14)/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide?
3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide has a molecular weight of 193.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide is sourced from PubChem (CID 11217774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).