4-(4-hydroxybutyl)pyrrolidin-2-one

C8H15NO2 — CID 54172002

IUPAC4-(4-hydroxybutyl)pyrrolidin-2-one
SMILESO=C1CC(CCCCO)CN1
InChIInChI=1S/C8H15NO2/c10-4-2-1-3-7-5-8(11)9-6-7/h7,10H,1-6H2,(H,9,11)
InChIKeyOVRAGCSBPBBWPT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.29
Rot. Bonds4

About 4-(4-hydroxybutyl)pyrrolidin-2-one

4-(4-hydroxybutyl)pyrrolidin-2-one (PubChem CID 54172002) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(4-hydroxybutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxybutyl)pyrrolidin-2-one
PubChem CID54172002
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(4-hydroxybutyl)pyrrolidin-2-one
SMILESO=C1CC(CCCCO)CN1
InChIInChI=1S/C8H15NO2/c10-4-2-1-3-7-5-8(11)9-6-7/h7,10H,1-6H2,(H,9,11)
InChIKeyOVRAGCSBPBBWPT-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Hydroxymethyl)-6-azaspiro[3.4]octan-7-one
CID 145905713
(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 134214150
(3S,5S)-3-fluoro-5-(3-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 175074396
4-(2-Fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 175720401
5-(3-Hydroxypropyl)-4-methylpyrrolidin-2-one
CID 18428563
5-Ethyl-3-(4-hydroxybutyl)pyrrolidin-2-one
CID 20266326
5-Ethyl-3-(3-hydroxypropyl)pyrrolidin-2-one
CID 20266329
5-Ethyl-3-(2-hydroxyethyl)pyrrolidin-2-one
CID 20266331
3-(4-Hydroxybutyl)azepan-2-one
CID 20507663
4-(4-Methoxy-2-methylbutyl)pyrrolidin-2-one
CID 21888353
(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one
CID 54273949
6-(2-Oxopyrrolidin-3-yl)hexanoic acid
CID 54373858

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxybutyl)pyrrolidin-2-one (CID 54172002) is 4-(4-hydroxybutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxybutyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxybutyl)pyrrolidin-2-one is O=C1CC(CCCCO)CN1.
What is the InChIKey of 4-(4-hydroxybutyl)pyrrolidin-2-one?
The InChIKey is OVRAGCSBPBBWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-4-2-1-3-7-5-8(11)9-6-7/h7,10H,1-6H2,(H,9,11).
What are the key properties of 4-(4-hydroxybutyl)pyrrolidin-2-one?
4-(4-hydroxybutyl)pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutyl)pyrrolidin-2-one is sourced from PubChem (CID 54172002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).