2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile

C10H7ClN2O — CID 84779277

IUPAC2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
SMILESN#CCc1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C10H7ClN2O/c11-8-4-6(1-2-12)3-7-5-9(14)13-10(7)8/h3-4H,1,5H2,(H,13,14)
InChIKeyGXZCDOBFSAOAJK-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.90
Rot. Bonds1

About 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile

2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile (PubChem CID 84779277) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
PubChem CID84779277
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
SMILESN#CCc1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C10H7ClN2O/c11-8-4-6(1-2-12)3-7-5-9(14)13-10(7)8/h3-4H,1,5H2,(H,13,14)
InChIKeyGXZCDOBFSAOAJK-UHFFFAOYSA-N
XLogP1.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84776695
5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one
CID 117416260
2-(3,5-dichloro-4-iodophenyl)acetonitrile
CID 134125339
7-chloro-5-(3,5-dichloro-4-pyridinyl)-1,3-dihydroindol-2-one
CID 122655698
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one
CID 159953490
2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 122655754
2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 122655715
6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190791
5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one
CID 82190590
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
2-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)ethanamine
CID 142880865
5-chloro-7-(1-isocyanatocyclopropyl)-1,3-dihydroindol-2-one
CID 117374900

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile (CID 84779277) is 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile is N#CCc1cc(Cl)c2c(c1)CC(=O)N2.
What is the InChIKey of 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The InChIKey is GXZCDOBFSAOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-8-4-6(1-2-12)3-7-5-9(14)13-10(7)8/h3-4H,1,5H2,(H,13,14).
What are the key properties of 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile has a molecular weight of 206.63 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile is sourced from PubChem (CID 84779277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).