2-(2-phenylchromen-4-ylidene)propanedinitrile

C18H10N2O — CID 716882

IUPAC2-(2-phenylchromen-4-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C18H10N2O/c19-11-14(12-20)16-10-18(13-6-2-1-3-7-13)21-17-9-5-4-8-15(16)17/h1-10H
InChIKeyTXSUHQPUMYIQIH-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.92
Rot. Bonds1

About 2-(2-phenylchromen-4-ylidene)propanedinitrile

2-(2-phenylchromen-4-ylidene)propanedinitrile (PubChem CID 716882) has the molecular formula C18H10N2O and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-phenylchromen-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2-phenylchromen-4-ylidene)propanedinitrile
PubChem CID716882
Molecular FormulaC18H10N2O
Molecular Weight270.29 g/mol
Exact Mass270.08
IUPAC Name2-(2-phenylchromen-4-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C18H10N2O/c19-11-14(12-20)16-10-18(13-6-2-1-3-7-13)21-17-9-5-4-8-15(16)17/h1-10H
InChIKeyTXSUHQPUMYIQIH-UHFFFAOYSA-N
XLogP3.92
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylchromen-4-ylidene)propanedinitrile?
The IUPAC name of 2-(2-phenylchromen-4-ylidene)propanedinitrile (CID 716882) is 2-(2-phenylchromen-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2-phenylchromen-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(2-phenylchromen-4-ylidene)propanedinitrile is N#CC(C#N)=C1C=C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-(2-phenylchromen-4-ylidene)propanedinitrile?
The InChIKey is TXSUHQPUMYIQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O/c19-11-14(12-20)16-10-18(13-6-2-1-3-7-13)21-17-9-5-4-8-15(16)17/h1-10H.
What are the key properties of 2-(2-phenylchromen-4-ylidene)propanedinitrile?
2-(2-phenylchromen-4-ylidene)propanedinitrile has a molecular weight of 270.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylchromen-4-ylidene)propanedinitrile is sourced from PubChem (CID 716882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).