4-dodecyl-1-methylpyrrolidin-2-one

C17H33NO — CID 175232910

IUPAC4-dodecyl-1-methylpyrrolidin-2-one
SMILESCCCCCCCCCCCCC1CC(=O)N(C)C1
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-17(19)18(2)15-16/h16H,3-15H2,1-2H3
InChIKeyDIIFOUXRRIANQD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.78
Rot. Bonds11

About 4-dodecyl-1-methylpyrrolidin-2-one

4-dodecyl-1-methylpyrrolidin-2-one (PubChem CID 175232910) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-dodecyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-dodecyl-1-methylpyrrolidin-2-one
PubChem CID175232910
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-dodecyl-1-methylpyrrolidin-2-one
SMILESCCCCCCCCCCCCC1CC(=O)N(C)C1
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-17(19)18(2)15-16/h16H,3-15H2,1-2H3
InChIKeyDIIFOUXRRIANQD-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-dodecyl-1-methylpyrrolidin-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-undecylcyclopentane-1,2-dione
CID 54303237
2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
CID 22387164
1-methyl-4-nonylazetidin-2-one
CID 70542920
5-tridecylcyclohexane-1,3-dione
CID 71394051
1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
CID 176730393
ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
CID 68572704
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one
CID 87908193
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
5-decylcyclohex-2-en-1-one
CID 139985452

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-1-methylpyrrolidin-2-one?
The IUPAC name of 4-dodecyl-1-methylpyrrolidin-2-one (CID 175232910) is 4-dodecyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-dodecyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-dodecyl-1-methylpyrrolidin-2-one is CCCCCCCCCCCCC1CC(=O)N(C)C1.
What is the InChIKey of 4-dodecyl-1-methylpyrrolidin-2-one?
The InChIKey is DIIFOUXRRIANQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-17(19)18(2)15-16/h16H,3-15H2,1-2H3.
What are the key properties of 4-dodecyl-1-methylpyrrolidin-2-one?
4-dodecyl-1-methylpyrrolidin-2-one has a molecular weight of 267.46 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 175232910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).