(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile

C11H13N3 — CID 90229017

IUPAC(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile
SMILESC=C1/C=C\C=C(\C#N)C/N=C(/CC)N1
InChIInChI=1S/C11H13N3/c1-3-11-13-8-10(7-12)6-4-5-9(2)14-11/h4-6H,2-3,8H2,1H3,(H,13,14)/b5-4-,10-6-
InChIKeySSFZFENHNHOQJE-ARSRRCBKSA-N
MW187.25 g/mol
LogP1.92
Rot. Bonds1

About (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile

(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile (PubChem CID 90229017) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile.

Molecular Properties

Compound Name(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile
PubChem CID90229017
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile
SMILESC=C1/C=C\C=C(\C#N)C/N=C(/CC)N1
InChIInChI=1S/C11H13N3/c1-3-11-13-8-10(7-12)6-4-5-9(2)14-11/h4-6H,2-3,8H2,1H3,(H,13,14)/b5-4-,10-6-
InChIKeySSFZFENHNHOQJE-ARSRRCBKSA-N
XLogP1.92
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile?
The IUPAC name of (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile (CID 90229017) is (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile.
What is the SMILES notation for (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile?
The canonical SMILES for (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile is C=C1/C=C\C=C(\C#N)C/N=C(/CC)N1.
What is the InChIKey of (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile?
The InChIKey is SSFZFENHNHOQJE-ARSRRCBKSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-11-13-8-10(7-12)6-4-5-9(2)14-11/h4-6H,2-3,8H2,1H3,(H,13,14)/b5-4-,10-6-.
What are the key properties of (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile?
(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile is sourced from PubChem (CID 90229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).