(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol

C7H15NO2 — CID 159095548

IUPAC(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
SMILESCO.C[C@@H]1CC(=O)N[C@H]1C
InChIInChI=1S/C6H11NO.CH4O/c1-4-3-6(8)7-5(4)2;1-2/h4-5H,3H2,1-2H3,(H,7,8);2H,1H3/t4-,5+;/m1./s1
InChIKeyKCPSQRIJXIIANM-JBUOLDKXSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds

About (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol

(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol (PubChem CID 159095548) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
PubChem CID159095548
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
SMILESCO.C[C@@H]1CC(=O)N[C@H]1C
InChIInChI=1S/C6H11NO.CH4O/c1-4-3-6(8)7-5(4)2;1-2/h4-5H,3H2,1-2H3,(H,7,8);2H,1H3/t4-,5+;/m1./s1
InChIKeyKCPSQRIJXIIANM-JBUOLDKXSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol 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

(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
CID 143653948
methyl (2S,3R)-2-methyl-5-oxopyrrolidine-3-carboxylate
CID 124705892
(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
CID 11815391
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
CID 75094596
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
CID 58071883
5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
(1S,5S,6R,7R)-7-chloro-5-methyl-2-azabicyclo[4.1.0]heptan-3-one;(1S,5S,6R,7S)-7-chloro-5-methyl-2-azabicyclo[4.1.0]heptan-3-one
CID 159981105
5-cyclohexyl-4-methylpyrrolidin-2-one
CID 155214705
4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 147171031
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol?
The IUPAC name of (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol (CID 159095548) is (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol.
What is the SMILES notation for (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol?
The canonical SMILES for (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol is CO.C[C@@H]1CC(=O)N[C@H]1C.
What is the InChIKey of (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol?
The InChIKey is KCPSQRIJXIIANM-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H11NO.CH4O/c1-4-3-6(8)7-5(4)2;1-2/h4-5H,3H2,1-2H3,(H,7,8);2H,1H3/t4-,5+;/m1./s1.
What are the key properties of (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol?
(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol has a molecular weight of 145.20 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol is sourced from PubChem (CID 159095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).