3-nitroso-1H-indole-6-carbonitrile

C9H5N3O — CID 118241553

IUPAC3-nitroso-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(N=O)c[nH]c2c1
InChIInChI=1S/C9H5N3O/c10-4-6-1-2-7-8(3-6)11-5-9(7)12-13/h1-3,5,11H
InChIKeyZOEPGZYLVDIJPD-UHFFFAOYSA-N
MW171.16 g/mol
LogP2.44
Rot. Bonds1

About 3-nitroso-1H-indole-6-carbonitrile

3-nitroso-1H-indole-6-carbonitrile (PubChem CID 118241553) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-nitroso-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-nitroso-1H-indole-6-carbonitrile
PubChem CID118241553
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name3-nitroso-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(N=O)c[nH]c2c1
InChIInChI=1S/C9H5N3O/c10-4-6-1-2-7-8(3-6)11-5-9(7)12-13/h1-3,5,11H
InChIKeyZOEPGZYLVDIJPD-UHFFFAOYSA-N
XLogP2.44
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(6-cyano-1H-indol-3-yl)prop-2-enoic acid
CID 69013043
3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
CID 107917700
3-methanimidoyl-1H-indole-6-carbonitrile
CID 144683042
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(3-chloropropyl)-1H-indole-6-carbonitrile
CID 57120485
3-fluoro-4-nitrosobenzonitrile
CID 88884017
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
tert-butyl (E)-3-(6-cyano-1H-indol-3-yl)prop-2-enoate
CID 67025246
3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
CID 107916614
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
CID 107916707

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1H-indole-6-carbonitrile?
The IUPAC name of 3-nitroso-1H-indole-6-carbonitrile (CID 118241553) is 3-nitroso-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-nitroso-1H-indole-6-carbonitrile?
The canonical SMILES for 3-nitroso-1H-indole-6-carbonitrile is N#Cc1ccc2c(N=O)c[nH]c2c1.
What is the InChIKey of 3-nitroso-1H-indole-6-carbonitrile?
The InChIKey is ZOEPGZYLVDIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-4-6-1-2-7-8(3-6)11-5-9(7)12-13/h1-3,5,11H.
What are the key properties of 3-nitroso-1H-indole-6-carbonitrile?
3-nitroso-1H-indole-6-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1H-indole-6-carbonitrile is sourced from PubChem (CID 118241553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).