(3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine

C15H19N3 — CID 142386373

IUPAC(3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine
SMILESC/C=C1/C(Cc2ccc(C)nc2)=CN/C1=N\CC
InChIInChI=1S/C15H19N3/c1-4-14-13(10-18-15(14)16-5-2)8-12-7-6-11(3)17-9-12/h4,6-7,9-10H,5,8H2,1-3H3,(H,16,18)/b14-4-
InChIKeyGMZGSOWWUYGHID-CPSFFCFKSA-N
MW241.34 g/mol
LogP2.78
Rot. Bonds3

About (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine

(3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine (PubChem CID 142386373) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine
PubChem CID142386373
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine
SMILESC/C=C1/C(Cc2ccc(C)nc2)=CN/C1=N\CC
InChIInChI=1S/C15H19N3/c1-4-14-13(10-18-15(14)16-5-2)8-12-7-6-11(3)17-9-12/h4,6-7,9-10H,5,8H2,1-3H3,(H,16,18)/b14-4-
InChIKeyGMZGSOWWUYGHID-CPSFFCFKSA-N
XLogP2.78
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-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)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine?
The IUPAC name of (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine (CID 142386373) is (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine.
What is the SMILES notation for (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine?
The canonical SMILES for (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine is C/C=C1/C(Cc2ccc(C)nc2)=CN/C1=N\CC.
What is the InChIKey of (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine?
The InChIKey is GMZGSOWWUYGHID-CPSFFCFKSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-14-13(10-18-15(14)16-5-2)8-12-7-6-11(3)17-9-12/h4,6-7,9-10H,5,8H2,1-3H3,(H,16,18)/b14-4-.
What are the key properties of (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine?
(3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine has a molecular weight of 241.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3-ethylidene-4-[(6-methyl-3-pyridinyl)methyl]-1H-pyrrol-2-imine is sourced from PubChem (CID 142386373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).