3-butyl-1-methyl-2H-pyrrol-5-one

C9H15NO — CID 10844585

IUPAC3-butyl-1-methyl-2H-pyrrol-5-one
SMILESCCCCC1=CC(=O)N(C)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-8-6-9(11)10(2)7-8/h6H,3-5,7H2,1-2H3
InChIKeyNQOILTQCWFPLFT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds3

About 3-butyl-1-methyl-2H-pyrrol-5-one

3-butyl-1-methyl-2H-pyrrol-5-one (PubChem CID 10844585) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-butyl-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-butyl-1-methyl-2H-pyrrol-5-one
PubChem CID10844585
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-butyl-1-methyl-2H-pyrrol-5-one
SMILESCCCCC1=CC(=O)N(C)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-8-6-9(11)10(2)7-8/h6H,3-5,7H2,1-2H3
InChIKeyNQOILTQCWFPLFT-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-butyl-1-methyl-2H-pyrrol-5-one (CID 10844585) is 3-butyl-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-butyl-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-butyl-1-methyl-2H-pyrrol-5-one is CCCCC1=CC(=O)N(C)C1.
What is the InChIKey of 3-butyl-1-methyl-2H-pyrrol-5-one?
The InChIKey is NQOILTQCWFPLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-8-6-9(11)10(2)7-8/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-2H-pyrrol-5-one?
3-butyl-1-methyl-2H-pyrrol-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 10844585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).