2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol

C12H19NO — CID 166944192

IUPAC2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol
SMILESC=C1/C(=C\C=C/C)C(CCO)CN1C
InChIInChI=1S/C12H19NO/c1-4-5-6-12-10(2)13(3)9-11(12)7-8-14/h4-6,11,14H,2,7-9H2,1,3H3/b5-4-,12-6+
InChIKeyMLCAWGCSKVUDGI-QENXGIAESA-N
MW193.29 g/mol
LogP1.95
Rot. Bonds3

About 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol

2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol (PubChem CID 166944192) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol
PubChem CID166944192
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol
SMILESC=C1/C(=C\C=C/C)C(CCO)CN1C
InChIInChI=1S/C12H19NO/c1-4-5-6-12-10(2)13(3)9-11(12)7-8-14/h4-6,11,14H,2,7-9H2,1,3H3/b5-4-,12-6+
InChIKeyMLCAWGCSKVUDGI-QENXGIAESA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol (CID 166944192) is 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol is C=C1/C(=C\C=C/C)C(CCO)CN1C.
What is the InChIKey of 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol?
The InChIKey is MLCAWGCSKVUDGI-QENXGIAESA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-12-10(2)13(3)9-11(12)7-8-14/h4-6,11,14H,2,7-9H2,1,3H3/b5-4-,12-6+.
What are the key properties of 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol?
2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol has a molecular weight of 193.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol is sourced from PubChem (CID 166944192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).