(2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile

C11H9N — CID 11062613

IUPAC(2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile
SMILESN#C/C=C1\CCc2ccccc21
InChIInChI=1S/C11H9N/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,7H,5-6H2/b10-7+
InChIKeyYPIUDDKTEDBMEC-JXMROGBWSA-N
MW155.20 g/mol
LogP2.54
Rot. Bonds

About (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile

(2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile (PubChem CID 11062613) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile
PubChem CID11062613
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name(2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile
SMILESN#C/C=C1\CCc2ccccc21
InChIInChI=1S/C11H9N/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,7H,5-6H2/b10-7+
InChIKeyYPIUDDKTEDBMEC-JXMROGBWSA-N
XLogP2.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile?
The IUPAC name of (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile (CID 11062613) is (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile?
The canonical SMILES for (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile is N#C/C=C1\CCc2ccccc21.
What is the InChIKey of (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile?
The InChIKey is YPIUDDKTEDBMEC-JXMROGBWSA-N. The full InChI is InChI=1S/C11H9N/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,7H,5-6H2/b10-7+.
What are the key properties of (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile?
(2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile has a molecular weight of 155.20 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,3-dihydroinden-1-ylidene)acetonitrile is sourced from PubChem (CID 11062613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).