2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine

C15H24N2 — CID 70961179

IUPAC2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine
SMILESC=c1c(CCN(C)CC)cn(C)/c1=C/C=C\C
InChIInChI=1S/C15H24N2/c1-6-8-9-15-13(3)14(12-17(15)5)10-11-16(4)7-2/h6,8-9,12H,3,7,10-11H2,1-2,4-5H3/b8-6-,15-9+
InChIKeyTVCBUOVSXNXPCV-ROYGEPAJSA-N
MW232.37 g/mol
LogP1.29
Rot. Bonds5

About 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine

2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine (PubChem CID 70961179) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine
PubChem CID70961179
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine
SMILESC=c1c(CCN(C)CC)cn(C)/c1=C/C=C\C
InChIInChI=1S/C15H24N2/c1-6-8-9-15-13(3)14(12-17(15)5)10-11-16(4)7-2/h6,8-9,12H,3,7,10-11H2,1-2,4-5H3/b8-6-,15-9+
InChIKeyTVCBUOVSXNXPCV-ROYGEPAJSA-N
XLogP1.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine 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-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine (CID 70961179) is 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine is C=c1c(CCN(C)CC)cn(C)/c1=C/C=C\C.
What is the InChIKey of 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine?
The InChIKey is TVCBUOVSXNXPCV-ROYGEPAJSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-8-9-15-13(3)14(12-17(15)5)10-11-16(4)7-2/h6,8-9,12H,3,7,10-11H2,1-2,4-5H3/b8-6-,15-9+.
What are the key properties of 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine?
2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine has a molecular weight of 232.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 70961179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).