6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile

C10H6ClNO — CID 55295556

IUPAC6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile
SMILESN#Cc1cc(Cl)cc2c1C(=O)CC2
InChIInChI=1S/C10H6ClNO/c11-8-3-6-1-2-9(13)10(6)7(4-8)5-12/h3-4H,1-2H2
InChIKeyKPXTUNWNZLMVAY-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.34
Rot. Bonds

About 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile

6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile (PubChem CID 55295556) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile
PubChem CID55295556
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Name6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile
SMILESN#Cc1cc(Cl)cc2c1C(=O)CC2
InChIInChI=1S/C10H6ClNO/c11-8-3-6-1-2-9(13)10(6)7(4-8)5-12/h3-4H,1-2H2
InChIKeyKPXTUNWNZLMVAY-UHFFFAOYSA-N
XLogP2.34
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride
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6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
CID 154230335
2,3,5-trichlorobenzonitrile
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6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one
CID 118369172
5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 62492902
2,4-dichloro-6-cyanobenzenesulfonamide
CID 171007997
7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131542137
5-chloro-3-cyano-2-hydroxybenzoic acid
CID 130981649
CID 164906500
CID 164906500
2-bromo-5-chloro-3-fluorobenzonitrile
CID 131622399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile?
The IUPAC name of 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile (CID 55295556) is 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile.
What is the SMILES notation for 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile?
The canonical SMILES for 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile is N#Cc1cc(Cl)cc2c1C(=O)CC2.
What is the InChIKey of 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile?
The InChIKey is KPXTUNWNZLMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO/c11-8-3-6-1-2-9(13)10(6)7(4-8)5-12/h3-4H,1-2H2.
What are the key properties of 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile?
6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile has a molecular weight of 191.62 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile is sourced from PubChem (CID 55295556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).