9-oxofluorene-3-carbonitrile

C14H7NO — CID 1237535

IUPAC9-oxofluorene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C14H7NO/c15-8-9-5-6-12-13(7-9)10-3-1-2-4-11(10)14(12)16/h1-7H
InChIKeyNGEGANCRKQERMY-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.77
Rot. Bonds

About 9-oxofluorene-3-carbonitrile

9-oxofluorene-3-carbonitrile (PubChem CID 1237535) has the molecular formula C14H7NO and a molecular weight of 205.22 g/mol. Its IUPAC name is 9-oxofluorene-3-carbonitrile.

Molecular Properties

Compound Name9-oxofluorene-3-carbonitrile
PubChem CID1237535
Molecular FormulaC14H7NO
Molecular Weight205.22 g/mol
Exact Mass205.05
IUPAC Name9-oxofluorene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C14H7NO/c15-8-9-5-6-12-13(7-9)10-3-1-2-4-11(10)14(12)16/h1-7H
InChIKeyNGEGANCRKQERMY-UHFFFAOYSA-N
XLogP2.77
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxofluorene-3-carbonitrile?
The IUPAC name of 9-oxofluorene-3-carbonitrile (CID 1237535) is 9-oxofluorene-3-carbonitrile.
What is the SMILES notation for 9-oxofluorene-3-carbonitrile?
The canonical SMILES for 9-oxofluorene-3-carbonitrile is N#Cc1ccc2c(c1)-c1ccccc1C2=O.
What is the InChIKey of 9-oxofluorene-3-carbonitrile?
The InChIKey is NGEGANCRKQERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7NO/c15-8-9-5-6-12-13(7-9)10-3-1-2-4-11(10)14(12)16/h1-7H.
What are the key properties of 9-oxofluorene-3-carbonitrile?
9-oxofluorene-3-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxofluorene-3-carbonitrile is sourced from PubChem (CID 1237535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).