(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane

C15H22N2 — CID 143041688

IUPAC(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane
SMILESCC.CC/C(C#N)=c1/cccn/c1=C(\C)CC
InChIInChI=1S/C13H16N2.C2H6/c1-4-10(3)13-12(7-6-8-15-13)11(5-2)9-14;1-2/h6-8H,4-5H2,1-3H3;1-2H3/b12-11+,13-10+;
InChIKeyVFLQIXCKAQNOLC-JMWVJPLZSA-N
MW230.35 g/mol
LogP2.77
Rot. Bonds2

About (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane

(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane (PubChem CID 143041688) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane.

Molecular Properties

Compound Name(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane
PubChem CID143041688
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane
SMILESCC.CC/C(C#N)=c1/cccn/c1=C(\C)CC
InChIInChI=1S/C13H16N2.C2H6/c1-4-10(3)13-12(7-6-8-15-13)11(5-2)9-14;1-2/h6-8H,4-5H2,1-3H3;1-2H3/b12-11+,13-10+;
InChIKeyVFLQIXCKAQNOLC-JMWVJPLZSA-N
XLogP2.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridin-3-ylidene malononitrile
CID 129787803
2-(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-succinonitrile
CID 5374302
2-(Ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile
CID 59083003
carbanide;5H-quinolin-5-ide-3-carbonitrile;yttrium
CID 60097792
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
CID 89112517
(Z,2E)-2-(2-methyliminoethylidene)pent-3-enenitrile
CID 89984254
4-(But-2-enylideneamino)-2-ethylbut-2-enenitrile
CID 123437410
3-Methylidene-2-pent-3-en-2-ylidenepyridine
CID 123516293
2-Butan-2-ylidene-3-but-2-enylidenepyridine
CID 123620479
(E)-2-ethenyl-3-[(E)-(5-prop-1-en-2-yl-3H-pyridin-2-ylidene)methyl]hex-2-enenitrile
CID 129276499
(2E,3Z)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]pyridine
CID 130284969

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane?
The IUPAC name of (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane (CID 143041688) is (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane.
What is the SMILES notation for (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane?
The canonical SMILES for (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane is CC.CC/C(C#N)=c1/cccn/c1=C(\C)CC.
What is the InChIKey of (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane?
The InChIKey is VFLQIXCKAQNOLC-JMWVJPLZSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-4-10(3)13-12(7-6-8-15-13)11(5-2)9-14;1-2/h6-8H,4-5H2,1-3H3;1-2H3/b12-11+,13-10+;.
What are the key properties of (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane?
(2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane has a molecular weight of 230.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2-butan-2-ylidene-3-pyridinylidene]butanenitrile;ethane is sourced from PubChem (CID 143041688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).