5-(3-hydroxypropyl)pyrrolidin-2-one

C7H13NO2 — CID 558386

IUPAC5-(3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CCC(CCCO)N1
InChIInChI=1S/C7H13NO2/c9-5-1-2-6-3-4-7(10)8-6/h6,9H,1-5H2,(H,8,10)
InChIKeyCJGLHMSXEHVWKR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.04
Rot. Bonds3

About 5-(3-hydroxypropyl)pyrrolidin-2-one

5-(3-hydroxypropyl)pyrrolidin-2-one (PubChem CID 558386) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)pyrrolidin-2-one
PubChem CID558386
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-(3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CCC(CCCO)N1
InChIInChI=1S/C7H13NO2/c9-5-1-2-6-3-4-7(10)8-6/h6,9H,1-5H2,(H,8,10)
InChIKeyCJGLHMSXEHVWKR-UHFFFAOYSA-N
XLogP0.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-Oxopyrrolidin-2-yl)propanoic acid
CID 4585667
5-(2-Hydroxyethyl)pyrrolidin-2-one
CID 10855476
3-[(2S)-5-oxopyrrolidin-2-yl]propanoic acid
CID 7083928
3,3-Difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 135231042
5-(5,5,5-Trifluoro-3-hydroxypentyl)pyrrolidin-2-one
CID 174467636
(3S,5S)-3-fluoro-5-(3-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 175074396
(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one
CID 138981424
alpha-Pyrrolidone, 5-[3-hydroxybutyl]-
CID 558368
5-(3-Hydroxyhexyl)-2-pyrrolidinone
CID 558378
3-[(2R)-5-Oxo-2-pyrrolidinyl]propanoic acid
CID 7083926
(5S)-5-(2-Hydroxyethyl)-2-pyrrolidinone
CID 12168480
5-(3-Hydroxypropyl)-4-methylpyrrolidin-2-one
CID 18428563

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 5-(3-hydroxypropyl)pyrrolidin-2-one (CID 558386) is 5-(3-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3-hydroxypropyl)pyrrolidin-2-one is O=C1CCC(CCCO)N1.
What is the InChIKey of 5-(3-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is CJGLHMSXEHVWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-5-1-2-6-3-4-7(10)8-6/h6,9H,1-5H2,(H,8,10).
What are the key properties of 5-(3-hydroxypropyl)pyrrolidin-2-one?
5-(3-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 558386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).