6H-benzo[c]chromene-6-carbonitrile

C14H9NO — CID 3068340

IUPAC6H-benzo[c]chromene-6-carbonitrile
SMILESN#CC1Oc2ccccc2-c2ccccc21
InChIInChI=1S/C14H9NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H
InChIKeyWQHAZYSCIDMBTQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.31
Rot. Bonds

About 6H-benzo[c]chromene-6-carbonitrile

6H-benzo[c]chromene-6-carbonitrile (PubChem CID 3068340) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 6H-benzo[c]chromene-6-carbonitrile.

Molecular Properties

Compound Name6H-benzo[c]chromene-6-carbonitrile
PubChem CID3068340
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name6H-benzo[c]chromene-6-carbonitrile
SMILESN#CC1Oc2ccccc2-c2ccccc21
InChIInChI=1S/C14H9NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H
InChIKeyWQHAZYSCIDMBTQ-UHFFFAOYSA-N
XLogP3.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-benzo[c]chromene-6-carbonitrile?
The IUPAC name of 6H-benzo[c]chromene-6-carbonitrile (CID 3068340) is 6H-benzo[c]chromene-6-carbonitrile.
What is the SMILES notation for 6H-benzo[c]chromene-6-carbonitrile?
The canonical SMILES for 6H-benzo[c]chromene-6-carbonitrile is N#CC1Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6H-benzo[c]chromene-6-carbonitrile?
The InChIKey is WQHAZYSCIDMBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H.
What are the key properties of 6H-benzo[c]chromene-6-carbonitrile?
6H-benzo[c]chromene-6-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-benzo[c]chromene-6-carbonitrile is sourced from PubChem (CID 3068340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).