(5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one

C11H19NO — CID 134421734

IUPAC(5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one
SMILESCC/C=C1\CC(C)C(=O)N1C(C)C
InChIInChI=1S/C11H19NO/c1-5-6-10-7-9(4)11(13)12(10)8(2)3/h6,8-9H,5,7H2,1-4H3/b10-6+
InChIKeyHBSXCLFHIMXGBK-UXBLZVDNSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds2

About (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one

(5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one (PubChem CID 134421734) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one
PubChem CID134421734
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one
SMILESCC/C=C1\CC(C)C(=O)N1C(C)C
InChIInChI=1S/C11H19NO/c1-5-6-10-7-9(4)11(13)12(10)8(2)3/h6,8-9H,5,7H2,1-4H3/b10-6+
InChIKeyHBSXCLFHIMXGBK-UXBLZVDNSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-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

2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 10866394
6,6-Dimethyl-1,2,3,7-tetrahydroindolizin-5-one
CID 45088850
6,6-Dimethyl-1,2,3,7-tetrahydroindolizin-2-ylium-5-one
CID 135043684
1-[(E,3S)-hept-4-en-3-yl]pyrrolidin-2-one
CID 162416860
1-[(E,3R)-hept-4-en-3-yl]pyrrolidin-2-one
CID 162417010
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
1,3,4-Trimethyl-5-propan-2-ylidenepyrrolidin-2-one
CID 20695519
2-Methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
CID 20704196
1,3-Dimethyl-5-methylidenepyrrolidin-2-one
CID 21050591
1-[(E)-4-methylpent-2-en-2-yl]pyrrolidin-2-one
CID 21518588
5-Methylidene-1-propan-2-ylpyrrolidin-2-one
CID 23088889
1-Pent-2-en-3-ylpyrrolidin-2-one
CID 53657339

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one?
The IUPAC name of (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one (CID 134421734) is (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one.
What is the SMILES notation for (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one?
The canonical SMILES for (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one is CC/C=C1\CC(C)C(=O)N1C(C)C.
What is the InChIKey of (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one?
The InChIKey is HBSXCLFHIMXGBK-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-10-7-9(4)11(13)12(10)8(2)3/h6,8-9H,5,7H2,1-4H3/b10-6+.
What are the key properties of (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one?
(5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-1-propan-2-yl-5-propylidenepyrrolidin-2-one is sourced from PubChem (CID 134421734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).