(2R)-1-acetyl-2-butyl-2H-pyrrol-5-one

C10H15NO2 — CID 58820286

IUPAC(2R)-1-acetyl-2-butyl-2H-pyrrol-5-one
SMILESCCCC[C@@H]1C=CC(=O)N1C(C)=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-9-6-7-10(13)11(9)8(2)12/h6-7,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyGBSDNIIOQQKHHB-SECBINFHSA-N
MW181.24 g/mol
LogP1.49
Rot. Bonds3

About (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one

(2R)-1-acetyl-2-butyl-2H-pyrrol-5-one (PubChem CID 58820286) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-butyl-2H-pyrrol-5-one
PubChem CID58820286
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(2R)-1-acetyl-2-butyl-2H-pyrrol-5-one
SMILESCCCC[C@@H]1C=CC(=O)N1C(C)=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-9-6-7-10(13)11(9)8(2)12/h6-7,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyGBSDNIIOQQKHHB-SECBINFHSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one (CID 58820286) is (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one is CCCC[C@@H]1C=CC(=O)N1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one?
The InChIKey is GBSDNIIOQQKHHB-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-9-6-7-10(13)11(9)8(2)12/h6-7,9H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one?
(2R)-1-acetyl-2-butyl-2H-pyrrol-5-one has a molecular weight of 181.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-butyl-2H-pyrrol-5-one is sourced from PubChem (CID 58820286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).