(2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine

C9H12N2 — CID 143215637

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

About (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine

(2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine (PubChem CID 143215637) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine.

Molecular Properties

Compound Name(2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine
PubChem CID143215637
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine
SMILESC=C1/C=C\C=C/CN/N=C\1C
InChIInChI=1S/C9H12N2/c1-8-6-4-3-5-7-10-11-9(8)2/h3-6,10H,1,7H2,2H3/b5-3-,6-4-,11-9-
InChIKeyUJIQVJAAEQXVRO-XHZZGSEBSA-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 (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine?
The IUPAC name of (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine (CID 143215637) is (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine.
What is the SMILES notation for (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine?
The canonical SMILES for (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine is C=C1/C=C\C=C/CN/N=C\1C.
What is the InChIKey of (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine?
The InChIKey is UJIQVJAAEQXVRO-XHZZGSEBSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-6-4-3-5-7-10-11-9(8)2/h3-6,10H,1,7H2,2H3/b5-3-,6-4-,11-9-.
What are the key properties of (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine?
(2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine 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 (2Z,5Z,7Z)-3-methyl-4-methylidene-1,9-dihydrodiazonine is sourced from PubChem (CID 143215637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).