1-dodecylpyrrolidin-2-one

C32H62N2O2 — CID 70222371

IUPAC1-dodecylpyrrolidin-2-one
SMILESCCCCCCCCCCCCN1CCCC1=O.CCCCCCCCCCCCN1CCCC1=O
InChIInChI=1S/2C16H31NO/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2*2-15H2,1H3
InChIKeyJZRNCEFPPIXPBA-UHFFFAOYSA-N
MW506.86 g/mol
LogP9.06
Rot. Bonds22

About 1-dodecylpyrrolidin-2-one

1-dodecylpyrrolidin-2-one (PubChem CID 70222371) has the molecular formula C32H62N2O2 and a molecular weight of 506.86 g/mol. Its IUPAC name is 1-dodecylpyrrolidin-2-one.

Molecular Properties

Compound Name1-dodecylpyrrolidin-2-one
PubChem CID70222371
Molecular FormulaC32H62N2O2
Molecular Weight506.86 g/mol
Exact Mass506.48
IUPAC Name1-dodecylpyrrolidin-2-one
SMILESCCCCCCCCCCCCN1CCCC1=O.CCCCCCCCCCCCN1CCCC1=O
InChIInChI=1S/2C16H31NO/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2*2-15H2,1H3
InChIKeyJZRNCEFPPIXPBA-UHFFFAOYSA-N
XLogP9.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.86
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexylpyrrolidin-2-one
CID 158904818
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304
1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
CID 173181742
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
5-(chloromethyl)-3-dodecyl-1,3-oxazolidin-2-one;1-dodecylpyrrolidin-2-one
CID 159459303
dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
CID 121391981
N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one
CID 67848441
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167

Frequently Asked Questions

What is the IUPAC name of 1-dodecylpyrrolidin-2-one?
The IUPAC name of 1-dodecylpyrrolidin-2-one (CID 70222371) is 1-dodecylpyrrolidin-2-one.
What is the SMILES notation for 1-dodecylpyrrolidin-2-one?
The canonical SMILES for 1-dodecylpyrrolidin-2-one is CCCCCCCCCCCCN1CCCC1=O.CCCCCCCCCCCCN1CCCC1=O.
What is the InChIKey of 1-dodecylpyrrolidin-2-one?
The InChIKey is JZRNCEFPPIXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H31NO/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2*2-15H2,1H3.
What are the key properties of 1-dodecylpyrrolidin-2-one?
1-dodecylpyrrolidin-2-one has a molecular weight of 506.86 g/mol, XLogP of 9.06, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpyrrolidin-2-one is sourced from PubChem (CID 70222371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).