3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one

C11H18N2O — CID 58431013

IUPAC3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one
SMILESCC(C)N1CC[C@@H](C2=CC(=O)NC2)C1
InChIInChI=1S/C11H18N2O/c1-8(2)13-4-3-9(7-13)10-5-11(14)12-6-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyHMRKRDMZZHLOIB-SECBINFHSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds2

About 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one

3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one (PubChem CID 58431013) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one
PubChem CID58431013
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one
SMILESCC(C)N1CC[C@@H](C2=CC(=O)NC2)C1
InChIInChI=1S/C11H18N2O/c1-8(2)13-4-3-9(7-13)10-5-11(14)12-6-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyHMRKRDMZZHLOIB-SECBINFHSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-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

(2E)-3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dienamide
CID 60168514
(E)-2-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide
CID 137535346
(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide
CID 146980932
(Z)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propan-2-ylprop-2-enamide
CID 146980933
(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide
CID 163660129
(Z)-2-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-ylprop-2-enamide
CID 169625359
(2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129838
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadec-2-enamide
CID 21297973
(2E,6E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 21297990
(2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 21298047
(E)-N-methyl-4-pyrrolidin-3-ylbut-2-enamide
CID 22137719
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54034355

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one (CID 58431013) is 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one is CC(C)N1CC[C@@H](C2=CC(=O)NC2)C1.
What is the InChIKey of 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one?
The InChIKey is HMRKRDMZZHLOIB-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-4-3-9(7-13)10-5-11(14)12-6-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,12,14)/t9-/m1/s1.
What are the key properties of 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one?
3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one has a molecular weight of 194.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 58431013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).