4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one

C9H16ClNO2 — CID 168687282

IUPAC4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one
SMILESCOCC(C)(C)N1CC(Cl)CC1=O
InChIInChI=1S/C9H16ClNO2/c1-9(2,6-13-3)11-5-7(10)4-8(11)12/h7H,4-6H2,1-3H3
InChIKeyIYVPLECLARKIDX-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.25
Rot. Bonds3

About 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one

4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one (PubChem CID 168687282) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one
PubChem CID168687282
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one
SMILESCOCC(C)(C)N1CC(Cl)CC1=O
InChIInChI=1S/C9H16ClNO2/c1-9(2,6-13-3)11-5-7(10)4-8(11)12/h7H,4-6H2,1-3H3
InChIKeyIYVPLECLARKIDX-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-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

2-(4-chloro-2-oxopyrrolidin-1-yl)-2,3-dimethylbutanenitrile
CID 168686835
4-chloro-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168687750
tert-butyl 3-[(4-chloro-2-oxopyrrolidin-1-yl)methyl]azetidine-1-carboxylate
CID 168687215
1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
CID 104523323
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
[1-(2-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672749
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82680909
4-chloro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168687248
(2R)-2-(4-chloro-2-oxopyrrolidin-1-yl)-3-methyl-3-sulfanylbutanoic acid
CID 168686833
tert-butyl 4-[2-(4-chloro-2-oxopyrrolidin-1-yl)ethyl]piperazine-1-carboxylate
CID 168687219
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one (CID 168687282) is 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one is COCC(C)(C)N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one?
The InChIKey is IYVPLECLARKIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-9(2,6-13-3)11-5-7(10)4-8(11)12/h7H,4-6H2,1-3H3.
What are the key properties of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one?
4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one has a molecular weight of 205.68 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168687282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).