(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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Related Compounds

Tetrahydroindolo[2,3-d]azepine
CID 87087142
Pyrido[3,2-c]azepine
CID 129706333
N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine
CID 130331428
Bis(3 pyridylidene)piperidin
CID 132275763
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
CID 57230838
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine
CID 66579617
1,2,3,4,4a,5-Hexahydropyrido[2,3-f]quinoxaline
CID 67302414
2,5-dihydro-1H-1,7-naphthyridin-6-imine
CID 67913999
5-pyrrolidin-2-ylidene-2H-pyridine
CID 68186916
7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine
CID 68558757

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).