(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine

C9H12N2 — CID 123778633

IUPAC(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
SMILESC=C1/C=C\C=CC/N=C(/C)N1
InChIInChI=1S/C9H12N2/c1-8-6-4-3-5-7-10-9(2)11-8/h3-6H,1,7H2,2H3,(H,10,11)/b5-3?,6-4-
InChIKeyRKTRNMPSSOYXTH-CSRHXWDSSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds

About (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine

(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine (PubChem CID 123778633) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine.

Molecular Properties

Compound Name(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
PubChem CID123778633
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
SMILESC=C1/C=C\C=CC/N=C(/C)N1
InChIInChI=1S/C9H12N2/c1-8-6-4-3-5-7-10-9(2)11-8/h3-6H,1,7H2,2H3,(H,10,11)/b5-3?,6-4-
InChIKeyRKTRNMPSSOYXTH-CSRHXWDSSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine?
The IUPAC name of (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine (CID 123778633) is (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine.
What is the SMILES notation for (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine?
The canonical SMILES for (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine is C=C1/C=C\C=CC/N=C(/C)N1.
What is the InChIKey of (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine?
The InChIKey is RKTRNMPSSOYXTH-CSRHXWDSSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-6-4-3-5-7-10-9(2)11-8/h3-6H,1,7H2,2H3,(H,10,11)/b5-3?,6-4-.
What are the key properties of (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine?
(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine is sourced from PubChem (CID 123778633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).