4-(chloromethyl)-1-nonylpyrrolidin-2-one

C14H26ClNO — CID 168507077

IUPAC4-(chloromethyl)-1-nonylpyrrolidin-2-one
SMILESCCCCCCCCCN1CC(CCl)CC1=O
InChIInChI=1S/C14H26ClNO/c1-2-3-4-5-6-7-8-9-16-12-13(11-15)10-14(16)17/h13H,2-12H2,1H3
InChIKeyZNIAWDUXXUADDF-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.82
Rot. Bonds9

About 4-(chloromethyl)-1-nonylpyrrolidin-2-one

4-(chloromethyl)-1-nonylpyrrolidin-2-one (PubChem CID 168507077) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 4-(chloromethyl)-1-nonylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-nonylpyrrolidin-2-one
PubChem CID168507077
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name4-(chloromethyl)-1-nonylpyrrolidin-2-one
SMILESCCCCCCCCCN1CC(CCl)CC1=O
InChIInChI=1S/C14H26ClNO/c1-2-3-4-5-6-7-8-9-16-12-13(11-15)10-14(16)17/h13H,2-12H2,1H3
InChIKeyZNIAWDUXXUADDF-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-nonylpyrrolidin-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-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
S-[(1-octyl-5-oxopyrrolidin-3-yl)methyl] ethanethioate
CID 168666425
4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 168507131
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-nonylpyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-nonylpyrrolidin-2-one (CID 168507077) is 4-(chloromethyl)-1-nonylpyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-nonylpyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-nonylpyrrolidin-2-one is CCCCCCCCCN1CC(CCl)CC1=O.
What is the InChIKey of 4-(chloromethyl)-1-nonylpyrrolidin-2-one?
The InChIKey is ZNIAWDUXXUADDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-2-3-4-5-6-7-8-9-16-12-13(11-15)10-14(16)17/h13H,2-12H2,1H3.
What are the key properties of 4-(chloromethyl)-1-nonylpyrrolidin-2-one?
4-(chloromethyl)-1-nonylpyrrolidin-2-one has a molecular weight of 259.82 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-nonylpyrrolidin-2-one is sourced from PubChem (CID 168507077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).