1-butyl-3-nitroso-2-phenylindole

C18H18N2O — CID 155676886

IUPAC1-butyl-3-nitroso-2-phenylindole
SMILESCCCCn1c(-c2ccccc2)c(N=O)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-2-3-13-20-16-12-8-7-11-15(16)17(19-21)18(20)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKeyISTWNBGZYMBPPF-UHFFFAOYSA-N
MW278.36 g/mol
LogP5.51
Rot. Bonds5

About 1-butyl-3-nitroso-2-phenylindole

1-butyl-3-nitroso-2-phenylindole (PubChem CID 155676886) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-butyl-3-nitroso-2-phenylindole.

Molecular Properties

Compound Name1-butyl-3-nitroso-2-phenylindole
PubChem CID155676886
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-butyl-3-nitroso-2-phenylindole
SMILESCCCCn1c(-c2ccccc2)c(N=O)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-2-3-13-20-16-12-8-7-11-15(16)17(19-21)18(20)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKeyISTWNBGZYMBPPF-UHFFFAOYSA-N
XLogP5.51
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.36
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole
CID 154105715
1-butyl-2-phenylindole-3-carbaldehyde;1-methyl-2-phenylindole-3-carbaldehyde
CID 174681099
benzene;9-octylcarbazole
CID 175067369
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-butylcarbazol-3-ol
CID 140908966
2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
1-methyl-3-pentyl-2-phenylindole
CID 102287854
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
2-(9-hexylcarbazol-3-yl)-3,4,5-triphenylcyclopenta-2,4-dien-1-one
CID 134884813

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-nitroso-2-phenylindole?
The IUPAC name of 1-butyl-3-nitroso-2-phenylindole (CID 155676886) is 1-butyl-3-nitroso-2-phenylindole.
What is the SMILES notation for 1-butyl-3-nitroso-2-phenylindole?
The canonical SMILES for 1-butyl-3-nitroso-2-phenylindole is CCCCn1c(-c2ccccc2)c(N=O)c2ccccc21.
What is the InChIKey of 1-butyl-3-nitroso-2-phenylindole?
The InChIKey is ISTWNBGZYMBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-3-13-20-16-12-8-7-11-15(16)17(19-21)18(20)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3.
What are the key properties of 1-butyl-3-nitroso-2-phenylindole?
1-butyl-3-nitroso-2-phenylindole has a molecular weight of 278.36 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-nitroso-2-phenylindole is sourced from PubChem (CID 155676886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).