(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine

C12H14N2 — CID 130370350

IUPAC(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine
SMILESC/N=C1\C=CC=N\C1=C\C=C\C1CC1
InChIInChI=1S/C12H14N2/c1-13-11-6-3-9-14-12(11)5-2-4-10-7-8-10/h2-6,9-10H,7-8H2,1H3/b4-2+,12-5+,13-11+
InChIKeyLOKBJXZZEOWSEC-WZLXZLGOSA-N
MW186.26 g/mol
LogP2.55
Rot. Bonds2

About (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine

(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine (PubChem CID 130370350) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine.

Molecular Properties

Compound Name(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine
PubChem CID130370350
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine
SMILESC/N=C1\C=CC=N\C1=C\C=C\C1CC1
InChIInChI=1S/C12H14N2/c1-13-11-6-3-9-14-12(11)5-2-4-10-7-8-10/h2-6,9-10H,7-8H2,1H3/b4-2+,12-5+,13-11+
InChIKeyLOKBJXZZEOWSEC-WZLXZLGOSA-N
XLogP2.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine?
The IUPAC name of (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine (CID 130370350) is (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine.
What is the SMILES notation for (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine?
The canonical SMILES for (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine is C/N=C1\C=CC=N\C1=C\C=C\C1CC1.
What is the InChIKey of (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine?
The InChIKey is LOKBJXZZEOWSEC-WZLXZLGOSA-N. The full InChI is InChI=1S/C12H14N2/c1-13-11-6-3-9-14-12(11)5-2-4-10-7-8-10/h2-6,9-10H,7-8H2,1H3/b4-2+,12-5+,13-11+.
What are the key properties of (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine?
(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine has a molecular weight of 186.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine is sourced from PubChem (CID 130370350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).