(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile

C12H11N — CID 146362499

IUPAC(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile
SMILESC=C/C=c1/cc(C#N)cc/c1=C/C
InChIInChI=1S/C12H11N/c1-3-5-12-8-10(9-13)6-7-11(12)4-2/h3-8H,1H2,2H3/b11-4-,12-5-
InChIKeyKXYWWBJACDWZEE-VQCVYIJISA-N
MW169.23 g/mol
LogP1.33
Rot. Bonds1

About (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile

(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile (PubChem CID 146362499) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile
PubChem CID146362499
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile
SMILESC=C/C=c1/cc(C#N)cc/c1=C/C
InChIInChI=1S/C12H11N/c1-3-5-12-8-10(9-13)6-7-11(12)4-2/h3-8H,1H2,2H3/b11-4-,12-5-
InChIKeyKXYWWBJACDWZEE-VQCVYIJISA-N
XLogP1.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile (CID 146362499) is (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile is C=C/C=c1/cc(C#N)cc/c1=C/C.
What is the InChIKey of (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is KXYWWBJACDWZEE-VQCVYIJISA-N. The full InChI is InChI=1S/C12H11N/c1-3-5-12-8-10(9-13)6-7-11(12)4-2/h3-8H,1H2,2H3/b11-4-,12-5-.
What are the key properties of (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile?
(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 169.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 146362499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).