5-hydroxy-1-pentylpyrrolidin-2-one

C9H17NO2 — CID 14686205

IUPAC5-hydroxy-1-pentylpyrrolidin-2-one
SMILESCCCCCN1C(=O)CCC1O
InChIInChI=1S/C9H17NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h8,11H,2-7H2,1H3
InChIKeyFDNJJNFZMIMJDH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.12
Rot. Bonds4

About 5-hydroxy-1-pentylpyrrolidin-2-one

5-hydroxy-1-pentylpyrrolidin-2-one (PubChem CID 14686205) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-hydroxy-1-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-pentylpyrrolidin-2-one
PubChem CID14686205
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-hydroxy-1-pentylpyrrolidin-2-one
SMILESCCCCCN1C(=O)CCC1O
InChIInChI=1S/C9H17NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h8,11H,2-7H2,1H3
InChIKeyFDNJJNFZMIMJDH-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
1-butyl-5-tert-butylpyrrolidin-2-one
CID 139951377
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 121375125
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
5-amino-1-pentylpiperidin-2-one
CID 64977965
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
5-amino-1-dodecylpiperidin-2-one
CID 64977984

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-pentylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-pentylpyrrolidin-2-one (CID 14686205) is 5-hydroxy-1-pentylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-pentylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-pentylpyrrolidin-2-one is CCCCCN1C(=O)CCC1O.
What is the InChIKey of 5-hydroxy-1-pentylpyrrolidin-2-one?
The InChIKey is FDNJJNFZMIMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h8,11H,2-7H2,1H3.
What are the key properties of 5-hydroxy-1-pentylpyrrolidin-2-one?
5-hydroxy-1-pentylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-pentylpyrrolidin-2-one is sourced from PubChem (CID 14686205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).