(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one

C13H19NO — CID 166478127

IUPAC(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one
SMILESC=C(/C=C1/CC(=O)N/C1=C/C)C(C)(C)C
InChIInChI=1S/C13H19NO/c1-6-11-10(8-12(15)14-11)7-9(2)13(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,14,15)/b10-7-,11-6+
InChIKeyBCISCNHAWJRIGO-IKVLVDHLSA-N
MW205.30 g/mol
LogP2.94
Rot. Bonds1

About (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one

(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one (PubChem CID 166478127) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one
PubChem CID166478127
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one
SMILESC=C(/C=C1/CC(=O)N/C1=C/C)C(C)(C)C
InChIInChI=1S/C13H19NO/c1-6-11-10(8-12(15)14-11)7-9(2)13(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,14,15)/b10-7-,11-6+
InChIKeyBCISCNHAWJRIGO-IKVLVDHLSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-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

(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane
CID 142101189
(6E)-6-[(2E)-3,4-dimethylpenta-2,4-dienylidene]-5-ethylidenethiomorpholin-3-one
CID 173481893
3-(3,3-dimethylbutan-2-ylidene)pyrrolidine-2,5-dione
CID 77040324
(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
CID 143228257
2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 22145183
2-methylprop-2-enoic acid;2-sulfanylidene-1,3-diazinane-4,6-dione
CID 88695554
(4Z)-4-[(E)-2-[5-(aminomethyl)-1,3-thiazol-2-yl]but-2-enylidene]-5-methylidenepyrrolidin-2-one
CID 145277480
1-[3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-3,3-dimethylbutan-2-one
CID 4033699
(2,5-dioxopyrrolidin-3-ylidene)methyl prop-2-enoate
CID 66822275
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
4-[(1E)-2,3-dihydroxybuta-1,3-dienyl]-5-methyl-3H-pyridine-2,6-dione
CID 170396627
(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide
CID 58619943

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one?
The IUPAC name of (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one (CID 166478127) is (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one?
The canonical SMILES for (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one is C=C(/C=C1/CC(=O)N/C1=C/C)C(C)(C)C.
What is the InChIKey of (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one?
The InChIKey is BCISCNHAWJRIGO-IKVLVDHLSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-11-10(8-12(15)14-11)7-9(2)13(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,14,15)/b10-7-,11-6+.
What are the key properties of (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one?
(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one is sourced from PubChem (CID 166478127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).