(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine

C9H12N2 — CID 90151974

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
SMILES[H]/N=C1C(=C\C=C/C)/C=CN/1C
InChIInChI=1S/C9H12N2/c1-3-4-5-8-6-7-11(2)9(8)10/h3-7,10H,1-2H3/b4-3-,8-5-,10-9-
InChIKeyOIXPHHBYHWRTBO-RVMCNFDNSA-N
MW148.21 g/mol
LogP1.93
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine

(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine (PubChem CID 90151974) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
PubChem CID90151974
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
SMILES[H]/N=C1C(=C\C=C/C)/C=CN/1C
InChIInChI=1S/C9H12N2/c1-3-4-5-8-6-7-11(2)9(8)10/h3-7,10H,1-2H3/b4-3-,8-5-,10-9-
InChIKeyOIXPHHBYHWRTBO-RVMCNFDNSA-N
XLogP1.93
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine 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 (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine (CID 90151974) is (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine is [H]/N=C1C(=C\C=C/C)/C=CN/1C.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine?
The InChIKey is OIXPHHBYHWRTBO-RVMCNFDNSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-8-6-7-11(2)9(8)10/h3-7,10H,1-2H3/b4-3-,8-5-,10-9-.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine?
(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine has a molecular weight of 148.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine is sourced from PubChem (CID 90151974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).