2,7-dimethyl-9-oxofluorene-4-carbonitrile

C16H11NO — CID 58490125

IUPAC2,7-dimethyl-9-oxofluorene-4-carbonitrile
SMILESCc1ccc2c(c1)C(=O)c1cc(C)cc(C#N)c1-2
InChIInChI=1S/C16H11NO/c1-9-3-4-12-13(6-9)16(18)14-7-10(2)5-11(8-17)15(12)14/h3-7H,1-2H3
InChIKeyQNTVUWRNCDVDIQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.39
Rot. Bonds

About 2,7-dimethyl-9-oxofluorene-4-carbonitrile

2,7-dimethyl-9-oxofluorene-4-carbonitrile (PubChem CID 58490125) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 2,7-dimethyl-9-oxofluorene-4-carbonitrile.

Molecular Properties

Compound Name2,7-dimethyl-9-oxofluorene-4-carbonitrile
PubChem CID58490125
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name2,7-dimethyl-9-oxofluorene-4-carbonitrile
SMILESCc1ccc2c(c1)C(=O)c1cc(C)cc(C#N)c1-2
InChIInChI=1S/C16H11NO/c1-9-3-4-12-13(6-9)16(18)14-7-10(2)5-11(8-17)15(12)14/h3-7H,1-2H3
InChIKeyQNTVUWRNCDVDIQ-UHFFFAOYSA-N
XLogP3.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Fluorenone
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2-Acetylfluorene
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2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
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1,1'-(9H-Fluorene-2,7-diyl)di(ethan-1-one)
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4-(2-Oxo-2-(3-(trifluoromethyl)phenyl)ethyl)benzonitrile
CID 11437710
Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
CID 5367161
1-(Dicyanomethylene)acenaphthen-2-one
CID 96894
5-Methyl-1-indanone
CID 10130031
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CID 45483822

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-oxofluorene-4-carbonitrile?
The IUPAC name of 2,7-dimethyl-9-oxofluorene-4-carbonitrile (CID 58490125) is 2,7-dimethyl-9-oxofluorene-4-carbonitrile.
What is the SMILES notation for 2,7-dimethyl-9-oxofluorene-4-carbonitrile?
The canonical SMILES for 2,7-dimethyl-9-oxofluorene-4-carbonitrile is Cc1ccc2c(c1)C(=O)c1cc(C)cc(C#N)c1-2.
What is the InChIKey of 2,7-dimethyl-9-oxofluorene-4-carbonitrile?
The InChIKey is QNTVUWRNCDVDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c1-9-3-4-12-13(6-9)16(18)14-7-10(2)5-11(8-17)15(12)14/h3-7H,1-2H3.
What are the key properties of 2,7-dimethyl-9-oxofluorene-4-carbonitrile?
2,7-dimethyl-9-oxofluorene-4-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9-oxofluorene-4-carbonitrile is sourced from PubChem (CID 58490125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).