1-butyl-5-propylpyrrolidin-3-one

C11H21NO — CID 132576580

IUPAC1-butyl-5-propylpyrrolidin-3-one
SMILESCCCCN1CC(=O)CC1CCC
InChIInChI=1S/C11H21NO/c1-3-5-7-12-9-11(13)8-10(12)6-4-2/h10H,3-9H2,1-2H3
InChIKeyQLKUJHWDYLDVPZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.23
Rot. Bonds5

About 1-butyl-5-propylpyrrolidin-3-one

1-butyl-5-propylpyrrolidin-3-one (PubChem CID 132576580) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-butyl-5-propylpyrrolidin-3-one.

Molecular Properties

Compound Name1-butyl-5-propylpyrrolidin-3-one
PubChem CID132576580
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-butyl-5-propylpyrrolidin-3-one
SMILESCCCCN1CC(=O)CC1CCC
InChIInChI=1S/C11H21NO/c1-3-5-7-12-9-11(13)8-10(12)6-4-2/h10H,3-9H2,1-2H3
InChIKeyQLKUJHWDYLDVPZ-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hygrine
CID 440933
Cuskhygrine
CID 441070
1-(1-Methylpyrrolidin-2-yl)acetone
CID 94157
Cuscohygrine
CID 1201543
1-((2S)-1-Methyl-2-pyrrolidinyl)-2-propanone
CID 443144
3-(1-Pyrrolidinyl)-2-pentanone
CID 67699479
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
CID 11816962
1-(1-Methylpyrrolidin-2-yl)ethanone
CID 22942527
2-(Diethylamino)cyclohexan-1-one
CID 13085448
1,5-Dimethylpyrrolidin-3-one
CID 21016055
1-(1-Methylpyrrolidin-1-ium-2-yl)propan-2-one
CID 25200410
1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one
CID 66559743

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-propylpyrrolidin-3-one?
The IUPAC name of 1-butyl-5-propylpyrrolidin-3-one (CID 132576580) is 1-butyl-5-propylpyrrolidin-3-one.
What is the SMILES notation for 1-butyl-5-propylpyrrolidin-3-one?
The canonical SMILES for 1-butyl-5-propylpyrrolidin-3-one is CCCCN1CC(=O)CC1CCC.
What is the InChIKey of 1-butyl-5-propylpyrrolidin-3-one?
The InChIKey is QLKUJHWDYLDVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-7-12-9-11(13)8-10(12)6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-butyl-5-propylpyrrolidin-3-one?
1-butyl-5-propylpyrrolidin-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-propylpyrrolidin-3-one is sourced from PubChem (CID 132576580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).