(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile

C11H10N2 — CID 142030701

IUPAC(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile
SMILESC=C/C=c1/cc(C#N)cn/c1=C/C
InChIInChI=1S/C11H10N2/c1-3-5-10-6-9(7-12)8-13-11(10)4-2/h3-6,8H,1H2,2H3/b10-5-,11-4+
InChIKeyMXXMKSBCELPGDX-AOXYUYCMSA-N
MW170.21 g/mol
LogP0.72
Rot. Bonds1

About (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile

(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile (PubChem CID 142030701) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile
PubChem CID142030701
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile
SMILESC=C/C=c1/cc(C#N)cn/c1=C/C
InChIInChI=1S/C11H10N2/c1-3-5-10-6-9(7-12)8-13-11(10)4-2/h3-6,8H,1H2,2H3/b10-5-,11-4+
InChIKeyMXXMKSBCELPGDX-AOXYUYCMSA-N
XLogP0.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile?
The IUPAC name of (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile (CID 142030701) is (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile.
What is the SMILES notation for (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile?
The canonical SMILES for (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile is C=C/C=c1/cc(C#N)cn/c1=C/C.
What is the InChIKey of (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile?
The InChIKey is MXXMKSBCELPGDX-AOXYUYCMSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-5-10-6-9(7-12)8-13-11(10)4-2/h3-6,8H,1H2,2H3/b10-5-,11-4+.
What are the key properties of (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile?
(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carbonitrile is sourced from PubChem (CID 142030701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).