(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal

C9H15NO2 — CID 175610759

IUPAC(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal
SMILESC[C@H](C=O)C[C@@H]1C[C@@H](C)NC1=O
InChIInChI=1S/C9H15NO2/c1-6(5-11)3-8-4-7(2)10-9(8)12/h5-8H,3-4H2,1-2H3,(H,10,12)/t6-,7+,8+/m0/s1
InChIKeyOHCJQKOUJNKVMX-XLPZGREQSA-N
MW169.22 g/mol
LogP0.74
Rot. Bonds3

About (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal

(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal (PubChem CID 175610759) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal.

Molecular Properties

Compound Name(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal
PubChem CID175610759
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal
SMILESC[C@H](C=O)C[C@@H]1C[C@@H](C)NC1=O
InChIInChI=1S/C9H15NO2/c1-6(5-11)3-8-4-7(2)10-9(8)12/h5-8H,3-4H2,1-2H3,(H,10,12)/t6-,7+,8+/m0/s1
InChIKeyOHCJQKOUJNKVMX-XLPZGREQSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal 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

(3R,5S)-5-methyl-3-prop-2-enylpyrrolidin-2-one
CID 55300790
3-(3,4-dimethylcyclohexyl)-2-methylpropanal
CID 64737892
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636
(2S)-2-methyl-3-[(1S,2S)-2-methylcyclohexyl]propanal
CID 89224154
2-methyl-3-(4-methyloxan-2-yl)propanal
CID 130025863
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate
CID 169191950
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266
3-(3-aminopropyl)-6-methylpiperidin-2-one
CID 170552046
3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 176992533
3,6-dimethylpiperazin-2-one;hydrochloride
CID 74890092
3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-2-methylpropanal
CID 142458496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal?
The IUPAC name of (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal (CID 175610759) is (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal.
What is the SMILES notation for (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal?
The canonical SMILES for (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal is C[C@H](C=O)C[C@@H]1C[C@@H](C)NC1=O.
What is the InChIKey of (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal?
The InChIKey is OHCJQKOUJNKVMX-XLPZGREQSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(5-11)3-8-4-7(2)10-9(8)12/h5-8H,3-4H2,1-2H3,(H,10,12)/t6-,7+,8+/m0/s1.
What are the key properties of (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal?
(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal has a molecular weight of 169.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal is sourced from PubChem (CID 175610759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).