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

C9H17NO2 — CID 104679269

IUPAC3-(5-hydroxypentyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCCCCO
InChIInChI=1S/C9H17NO2/c11-7-3-1-2-4-8-5-6-10-9(8)12/h8,11H,1-7H2,(H,10,12)
InChIKeyKAWAIVJNOSXLHF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.68
Rot. Bonds5

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

3-(5-hydroxypentyl)pyrrolidin-2-one (PubChem CID 104679269) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)pyrrolidin-2-one
PubChem CID104679269
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(5-hydroxypentyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCCCCO
InChIInChI=1S/C9H17NO2/c11-7-3-1-2-4-8-5-6-10-9(8)12/h8,11H,1-7H2,(H,10,12)
InChIKeyKAWAIVJNOSXLHF-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.68
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

3-(5-hydroxypentyl)azepan-2-one
CID 104679507
3-(3-methylsulfonylpropyl)pyrrolidin-2-one
CID 104679318
3-dodecylpiperidin-2-one
CID 67992079
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-(3-oxobutyl)pyrrolidin-2-one
CID 82416368
3-(2-oxopyrrolidin-3-yl)propanal
CID 19979689
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
4-(2-oxopyrrolidin-3-yl)butyl 2-phenylacetate
CID 175835175
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
3-[2-(2-hydroxyethylsulfanyl)ethyl]azepan-2-one
CID 141003947
3-(3-oxo-3-phenylpropyl)pyrrolidin-2-one
CID 59078984

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentyl)pyrrolidin-2-one?
The IUPAC name of 3-(5-hydroxypentyl)pyrrolidin-2-one (CID 104679269) is 3-(5-hydroxypentyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(5-hydroxypentyl)pyrrolidin-2-one?
The canonical SMILES for 3-(5-hydroxypentyl)pyrrolidin-2-one is O=C1NCCC1CCCCCO.
What is the InChIKey of 3-(5-hydroxypentyl)pyrrolidin-2-one?
The InChIKey is KAWAIVJNOSXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-7-3-1-2-4-8-5-6-10-9(8)12/h8,11H,1-7H2,(H,10,12).
What are the key properties of 3-(5-hydroxypentyl)pyrrolidin-2-one?
3-(5-hydroxypentyl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)pyrrolidin-2-one is sourced from PubChem (CID 104679269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).