2H-benzo[g]chromene-3-carbonitrile

C14H9NO — CID 138373794

IUPAC2H-benzo[g]chromene-3-carbonitrile
SMILESN#CC1=Cc2cc3ccccc3cc2OC1
InChIInChI=1S/C14H9NO/c15-8-10-5-13-6-11-3-1-2-4-12(11)7-14(13)16-9-10/h1-7H,9H2
InChIKeyMMRGNGJLLSYFSW-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.14
Rot. Bonds

About 2H-benzo[g]chromene-3-carbonitrile

2H-benzo[g]chromene-3-carbonitrile (PubChem CID 138373794) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 2H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name2H-benzo[g]chromene-3-carbonitrile
PubChem CID138373794
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name2H-benzo[g]chromene-3-carbonitrile
SMILESN#CC1=Cc2cc3ccccc3cc2OC1
InChIInChI=1S/C14H9NO/c15-8-10-5-13-6-11-3-1-2-4-12(11)7-14(13)16-9-10/h1-7H,9H2
InChIKeyMMRGNGJLLSYFSW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of 2H-benzo[g]chromene-3-carbonitrile (CID 138373794) is 2H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for 2H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for 2H-benzo[g]chromene-3-carbonitrile is N#CC1=Cc2cc3ccccc3cc2OC1.
What is the InChIKey of 2H-benzo[g]chromene-3-carbonitrile?
The InChIKey is MMRGNGJLLSYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c15-8-10-5-13-6-11-3-1-2-4-12(11)7-14(13)16-9-10/h1-7H,9H2.
What are the key properties of 2H-benzo[g]chromene-3-carbonitrile?
2H-benzo[g]chromene-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 138373794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).