2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile

C20H11NO2 — CID 71517465

IUPAC2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2ccc3ccccc3c2oc1=O
InChIInChI=1S/C20H11NO2/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-11H
InChIKeyXVXXKPXPWFQHMP-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.48
Rot. Bonds1

About 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile

2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile (PubChem CID 71517465) has the molecular formula C20H11NO2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile
PubChem CID71517465
Molecular FormulaC20H11NO2
Molecular Weight297.31 g/mol
Exact Mass297.08
IUPAC Name2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2ccc3ccccc3c2oc1=O
InChIInChI=1S/C20H11NO2/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-11H
InChIKeyXVXXKPXPWFQHMP-UHFFFAOYSA-N
XLogP4.48
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile (CID 71517465) is 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile is N#Cc1c(-c2ccccc2)c2ccc3ccccc3c2oc1=O.
What is the InChIKey of 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile?
The InChIKey is XVXXKPXPWFQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO2/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-11H.
What are the key properties of 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile?
2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile has a molecular weight of 297.31 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenylbenzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 71517465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).