5-acetyl-1-hex-4-enoylpyrrolidin-2-one

C12H17NO3 — CID 91124603

IUPAC5-acetyl-1-hex-4-enoylpyrrolidin-2-one
SMILESCC=CCCC(=O)N1C(=O)CCC1C(C)=O
InChIInChI=1S/C12H17NO3/c1-3-4-5-6-11(15)13-10(9(2)14)7-8-12(13)16/h3-4,10H,5-8H2,1-2H3
InChIKeyLVSDCZXVBCEJHP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.45
Rot. Bonds4

About 5-acetyl-1-hex-4-enoylpyrrolidin-2-one

5-acetyl-1-hex-4-enoylpyrrolidin-2-one (PubChem CID 91124603) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-acetyl-1-hex-4-enoylpyrrolidin-2-one.

Molecular Properties

Compound Name5-acetyl-1-hex-4-enoylpyrrolidin-2-one
PubChem CID91124603
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-acetyl-1-hex-4-enoylpyrrolidin-2-one
SMILESCC=CCCC(=O)N1C(=O)CCC1C(C)=O
InChIInChI=1S/C12H17NO3/c1-3-4-5-6-11(15)13-10(9(2)14)7-8-12(13)16/h3-4,10H,5-8H2,1-2H3
InChIKeyLVSDCZXVBCEJHP-UHFFFAOYSA-N
XLogP1.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methylbut-2-enoyl)-1-prop-2-enylpyrrolidin-2-one
CID 131873140
(S)-6-Methyl-1,8a-dihydroindolizine-3,8(2H,5H)-dione
CID 45115954
1-[2-[(E)-pent-3-enoyl]pyrrolidin-1-yl]propane-1,2-dione
CID 20647194
1,5-Di(but-3-enoyl)pyrrolidin-2-one
CID 70359984
(E)-1-[(2S)-2-acetylpyrrolidin-1-yl]pent-2-en-1-one
CID 88976973
5-Acetyl-1-hex-4-enoylpyrrolidin-2-one
CID 91124602
1-[(E)-hept-5-en-2-yl]pyrrolidine-2,3-dione
CID 117938662
1,8A-dihydroindolizine-3,8(2H,5H)-dione
CID 45115882
5-[(E)-2-methylbut-2-enoyl]-1-prop-2-enylpyrrolidin-2-one
CID 121016371
2,5,8,9a-tetrahydro-1H-pyrrolo[1,2-a]azepine-3,9-dione
CID 130036349
(9aS)-2,5,8,9a-tetrahydro-1H-pyrrolo[1,2-a]azepine-3,9-dione
CID 131203985
1-(2-Acetylpyrrolidin-1-yl)non-8-en-1-one
CID 143401257

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-hex-4-enoylpyrrolidin-2-one?
The IUPAC name of 5-acetyl-1-hex-4-enoylpyrrolidin-2-one (CID 91124603) is 5-acetyl-1-hex-4-enoylpyrrolidin-2-one.
What is the SMILES notation for 5-acetyl-1-hex-4-enoylpyrrolidin-2-one?
The canonical SMILES for 5-acetyl-1-hex-4-enoylpyrrolidin-2-one is CC=CCCC(=O)N1C(=O)CCC1C(C)=O.
What is the InChIKey of 5-acetyl-1-hex-4-enoylpyrrolidin-2-one?
The InChIKey is LVSDCZXVBCEJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-4-5-6-11(15)13-10(9(2)14)7-8-12(13)16/h3-4,10H,5-8H2,1-2H3.
What are the key properties of 5-acetyl-1-hex-4-enoylpyrrolidin-2-one?
5-acetyl-1-hex-4-enoylpyrrolidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-hex-4-enoylpyrrolidin-2-one is sourced from PubChem (CID 91124603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).