6-methylbenzo[c]chromene-6-carbonitrile

C15H11NO — CID 3068341

IUPAC6-methylbenzo[c]chromene-6-carbonitrile
SMILESCC1(C#N)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H11NO/c1-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17-15/h2-9H,1H3
InChIKeyYLGSBQPQENHHDS-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.48
Rot. Bonds

About 6-methylbenzo[c]chromene-6-carbonitrile

6-methylbenzo[c]chromene-6-carbonitrile (PubChem CID 3068341) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methylbenzo[c]chromene-6-carbonitrile.

Molecular Properties

Compound Name6-methylbenzo[c]chromene-6-carbonitrile
PubChem CID3068341
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name6-methylbenzo[c]chromene-6-carbonitrile
SMILESCC1(C#N)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H11NO/c1-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17-15/h2-9H,1H3
InChIKeyYLGSBQPQENHHDS-UHFFFAOYSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[c]chromene-6-carbonitrile?
The IUPAC name of 6-methylbenzo[c]chromene-6-carbonitrile (CID 3068341) is 6-methylbenzo[c]chromene-6-carbonitrile.
What is the SMILES notation for 6-methylbenzo[c]chromene-6-carbonitrile?
The canonical SMILES for 6-methylbenzo[c]chromene-6-carbonitrile is CC1(C#N)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-methylbenzo[c]chromene-6-carbonitrile?
The InChIKey is YLGSBQPQENHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17-15/h2-9H,1H3.
What are the key properties of 6-methylbenzo[c]chromene-6-carbonitrile?
6-methylbenzo[c]chromene-6-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[c]chromene-6-carbonitrile is sourced from PubChem (CID 3068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).