4-(hydroxymethyl)-1-undecylpyrrolidin-2-one

C16H31NO2 — CID 175080693

IUPAC4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
SMILESCCCCCCCCCCCN1CC(CO)CC1=O
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-17-13-15(14-18)12-16(17)19/h15,18H,2-14H2,1H3
InChIKeyDLJJZNPXINPDQK-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.36
Rot. Bonds11

About 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one

4-(hydroxymethyl)-1-undecylpyrrolidin-2-one (PubChem CID 175080693) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
PubChem CID175080693
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
SMILESCCCCCCCCCCCN1CC(CO)CC1=O
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-17-13-15(14-18)12-16(17)19/h15,18H,2-14H2,1H3
InChIKeyDLJJZNPXINPDQK-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
S-[(1-octyl-5-oxopyrrolidin-3-yl)methyl] ethanethioate
CID 168666425
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 168663026
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one (CID 175080693) is 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one is CCCCCCCCCCCN1CC(CO)CC1=O.
What is the InChIKey of 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one?
The InChIKey is DLJJZNPXINPDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-17-13-15(14-18)12-16(17)19/h15,18H,2-14H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one?
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one has a molecular weight of 269.43 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-undecylpyrrolidin-2-one is sourced from PubChem (CID 175080693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).