(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane

C13H23NO — CID 142101189

IUPAC(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane
SMILESC/C=C1/CC(=O)N/C1=C/C.CC(C)(C)C
InChIInChI=1S/C8H11NO.C5H12/c1-3-6-5-8(10)9-7(6)4-2;1-5(2,3)4/h3-4H,5H2,1-2H3,(H,9,10);1-4H3/b6-3-,7-4+;
InChIKeySQMSAIJUXGJJIT-SMNOYOBLSA-N
MW209.33 g/mol
LogP3.41
Rot. Bonds

About (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane

(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane (PubChem CID 142101189) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane.

Molecular Properties

Compound Name(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane
PubChem CID142101189
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane
SMILESC/C=C1/CC(=O)N/C1=C/C.CC(C)(C)C
InChIInChI=1S/C8H11NO.C5H12/c1-3-6-5-8(10)9-7(6)4-2;1-5(2,3)4/h3-4H,5H2,1-2H3,(H,9,10);1-4H3/b6-3-,7-4+;
InChIKeySQMSAIJUXGJJIT-SMNOYOBLSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane 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-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one
CID 166478127
1,2-di(ethylidene)cyclopropane
CID 123857340
(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
CID 143228257
3-ethylideneazetidin-2-one
CID 71337258
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
(6E)-6-[(2E)-3,4-dimethylpenta-2,4-dienylidene]-5-ethylidenethiomorpholin-3-one
CID 173481893
(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidene-7-methyl-1,4-diazepan-5-one
CID 137420975
2-ethylidene-5-iminocyclohexane-1,4-dione
CID 90860502
(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione
CID 10898725
3-(3,3-dimethylbutan-2-ylidene)pyrrolidine-2,5-dione
CID 77040324
3-heptylidenepyrrolidine-2,5-dione
CID 141176728
1,3-diazinane-2,4,6-trione;methane
CID 70575233

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane?
The IUPAC name of (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane (CID 142101189) is (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane.
What is the SMILES notation for (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane?
The canonical SMILES for (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane is C/C=C1/CC(=O)N/C1=C/C.CC(C)(C)C.
What is the InChIKey of (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane?
The InChIKey is SQMSAIJUXGJJIT-SMNOYOBLSA-N. The full InChI is InChI=1S/C8H11NO.C5H12/c1-3-6-5-8(10)9-7(6)4-2;1-5(2,3)4/h3-4H,5H2,1-2H3,(H,9,10);1-4H3/b6-3-,7-4+;.
What are the key properties of (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane?
(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane has a molecular weight of 209.33 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane is sourced from PubChem (CID 142101189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).