3-[(4-nitrosophenyl)methyl]-1H-indole

C15H12N2O — CID 139526276

IUPAC3-[(4-nitrosophenyl)methyl]-1H-indole
SMILESO=Nc1ccc(Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c18-17-13-7-5-11(6-8-13)9-12-10-16-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2
InChIKeyRFJFXZHWKPHPDD-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.16
Rot. Bonds3

About 3-[(4-nitrosophenyl)methyl]-1H-indole

3-[(4-nitrosophenyl)methyl]-1H-indole (PubChem CID 139526276) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(4-nitrosophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-nitrosophenyl)methyl]-1H-indole
PubChem CID139526276
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-[(4-nitrosophenyl)methyl]-1H-indole
SMILESO=Nc1ccc(Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c18-17-13-7-5-11(6-8-13)9-12-10-16-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2
InChIKeyRFJFXZHWKPHPDD-UHFFFAOYSA-N
XLogP4.16
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
CID 143326661
3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole
CID 175085048
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-ethyl-1H-indole;methanamine
CID 142222050
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
3-ethyl-1H-quinolin-4-one
CID 10374897
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
CID 91093763

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrosophenyl)methyl]-1H-indole?
The IUPAC name of 3-[(4-nitrosophenyl)methyl]-1H-indole (CID 139526276) is 3-[(4-nitrosophenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-nitrosophenyl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-nitrosophenyl)methyl]-1H-indole is O=Nc1ccc(Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-nitrosophenyl)methyl]-1H-indole?
The InChIKey is RFJFXZHWKPHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-17-13-7-5-11(6-8-13)9-12-10-16-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2.
What are the key properties of 3-[(4-nitrosophenyl)methyl]-1H-indole?
3-[(4-nitrosophenyl)methyl]-1H-indole has a molecular weight of 236.27 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrosophenyl)methyl]-1H-indole is sourced from PubChem (CID 139526276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).