(2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine

C10H12N2 — CID 129067751

IUPAC(2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine
SMILESC=c1cncc/c1=C(C)/C=N/C
InChIInChI=1S/C10H12N2/c1-8(6-11-3)10-4-5-12-7-9(10)2/h4-7H,2H2,1,3H3/b10-8-,11-6+
InChIKeyXNRQQDQTYYYEBP-DEUQGVHJSA-N
MW160.22 g/mol
LogP0.36
Rot. Bonds1

About (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine

(2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine (PubChem CID 129067751) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine
PubChem CID129067751
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine
SMILESC=c1cncc/c1=C(C)/C=N/C
InChIInChI=1S/C10H12N2/c1-8(6-11-3)10-4-5-12-7-9(10)2/h4-7H,2H2,1,3H3/b10-8-,11-6+
InChIKeyXNRQQDQTYYYEBP-DEUQGVHJSA-N
XLogP0.36
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-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 (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine?
The IUPAC name of (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine (CID 129067751) is (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine.
What is the SMILES notation for (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine?
The canonical SMILES for (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine is C=c1cncc/c1=C(C)/C=N/C.
What is the InChIKey of (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine?
The InChIKey is XNRQQDQTYYYEBP-DEUQGVHJSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(6-11-3)10-4-5-12-7-9(10)2/h4-7H,2H2,1,3H3/b10-8-,11-6+.
What are the key properties of (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine?
(2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine has a molecular weight of 160.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-(3-methylidene-4-pyridinylidene)propan-1-imine is sourced from PubChem (CID 129067751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).