(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine

C13H14N2 — CID 134407073

IUPAC(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine
SMILESC=C1C=CC=N/C(=C2\NCC=CC2=C)C1
InChIInChI=1S/C13H14N2/c1-10-5-3-7-14-12(9-10)13-11(2)6-4-8-15-13/h3-7,15H,1-2,8-9H2/b13-12-
InChIKeyWFZMUPDSJVFYTC-SEYXRHQNSA-N
MW198.27 g/mol
LogP2.50
Rot. Bonds

About (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine

(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine (PubChem CID 134407073) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine.

Molecular Properties

Compound Name(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine
PubChem CID134407073
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine
SMILESC=C1C=CC=N/C(=C2\NCC=CC2=C)C1
InChIInChI=1S/C13H14N2/c1-10-5-3-7-14-12(9-10)13-11(2)6-4-8-15-13/h3-7,15H,1-2,8-9H2/b13-12-
InChIKeyWFZMUPDSJVFYTC-SEYXRHQNSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine?
The IUPAC name of (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine (CID 134407073) is (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine.
What is the SMILES notation for (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine?
The canonical SMILES for (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine is C=C1C=CC=N/C(=C2\NCC=CC2=C)C1.
What is the InChIKey of (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine?
The InChIKey is WFZMUPDSJVFYTC-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-5-3-7-14-12(9-10)13-11(2)6-4-8-15-13/h3-7,15H,1-2,8-9H2/b13-12-.
What are the key properties of (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine?
(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine has a molecular weight of 198.27 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine is sourced from PubChem (CID 134407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).