(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine

C12H12N2 — CID 118176144

IUPAC(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine
SMILESC=C1/C=C\C=C/C/N=C2/C=CC=CN12
InChIInChI=1S/C12H12N2/c1-11-7-3-2-5-9-13-12-8-4-6-10-14(11)12/h2-8,10H,1,9H2/b5-2-,7-3-,13-12-
InChIKeyXUSXKVRTRACVMY-GSHQHOSZSA-N
MW184.24 g/mol
LogP2.41
Rot. Bonds

About (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine

(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine (PubChem CID 118176144) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine.

Molecular Properties

Compound Name(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine
PubChem CID118176144
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine
SMILESC=C1/C=C\C=C/C/N=C2/C=CC=CN12
InChIInChI=1S/C12H12N2/c1-11-7-3-2-5-9-13-12-8-4-6-10-14(11)12/h2-8,10H,1,9H2/b5-2-,7-3-,13-12-
InChIKeyXUSXKVRTRACVMY-GSHQHOSZSA-N
XLogP2.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine?
The IUPAC name of (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine (CID 118176144) is (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine.
What is the SMILES notation for (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine?
The canonical SMILES for (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine is C=C1/C=C\C=C/C/N=C2/C=CC=CN12.
What is the InChIKey of (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine?
The InChIKey is XUSXKVRTRACVMY-GSHQHOSZSA-N. The full InChI is InChI=1S/C12H12N2/c1-11-7-3-2-5-9-13-12-8-4-6-10-14(11)12/h2-8,10H,1,9H2/b5-2-,7-3-,13-12-.
What are the key properties of (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine?
(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine has a molecular weight of 184.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine is sourced from PubChem (CID 118176144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).