(2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile

C12H10N2 — CID 163907593

IUPAC(2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile
SMILESC/C=c1\[nH]/c(=C/C#N)c2ccccc12
InChIInChI=1S/C12H10N2/c1-2-11-9-5-3-4-6-10(9)12(14-11)7-8-13/h2-7,14H,1H3/b11-2-,12-7+
InChIKeyQPIFURSXVZHQFQ-DWWGQFSDSA-N
MW182.23 g/mol
LogP1.27
Rot. Bonds

About (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile

(2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile (PubChem CID 163907593) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile
PubChem CID163907593
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name(2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile
SMILESC/C=c1\[nH]/c(=C/C#N)c2ccccc12
InChIInChI=1S/C12H10N2/c1-2-11-9-5-3-4-6-10(9)12(14-11)7-8-13/h2-7,14H,1H3/b11-2-,12-7+
InChIKeyQPIFURSXVZHQFQ-DWWGQFSDSA-N
XLogP1.27
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile?
The IUPAC name of (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile (CID 163907593) is (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile.
What is the SMILES notation for (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile?
The canonical SMILES for (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile is C/C=c1\[nH]/c(=C/C#N)c2ccccc12.
What is the InChIKey of (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile?
The InChIKey is QPIFURSXVZHQFQ-DWWGQFSDSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-11-9-5-3-4-6-10(9)12(14-11)7-8-13/h2-7,14H,1H3/b11-2-,12-7+.
What are the key properties of (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile?
(2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile has a molecular weight of 182.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3Z)-3-ethylideneisoindol-1-ylidene]acetonitrile is sourced from PubChem (CID 163907593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).