7-methoxy-4-nitroso-1-propan-2-ylindole

C12H14N2O2 — CID 88972934

IUPAC7-methoxy-4-nitroso-1-propan-2-ylindole
SMILESCOc1ccc(N=O)c2ccn(C(C)C)c12
InChIInChI=1S/C12H14N2O2/c1-8(2)14-7-6-9-10(13-15)4-5-11(16-3)12(9)14/h4-8H,1-3H3
InChIKeyVCUGOTVAZQTREL-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.63
Rot. Bonds3

About 7-methoxy-4-nitroso-1-propan-2-ylindole

7-methoxy-4-nitroso-1-propan-2-ylindole (PubChem CID 88972934) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 7-methoxy-4-nitroso-1-propan-2-ylindole.

Molecular Properties

Compound Name7-methoxy-4-nitroso-1-propan-2-ylindole
PubChem CID88972934
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name7-methoxy-4-nitroso-1-propan-2-ylindole
SMILESCOc1ccc(N=O)c2ccn(C(C)C)c12
InChIInChI=1S/C12H14N2O2/c1-8(2)14-7-6-9-10(13-15)4-5-11(16-3)12(9)14/h4-8H,1-3H3
InChIKeyVCUGOTVAZQTREL-UHFFFAOYSA-N
XLogP3.63
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-propan-2-ylindole-4-carboxylic acid
CID 67468682
2,6-dimethoxy-1,5-dinitrosonaphthalene
CID 174897734
5,6-dimethoxy-1-propan-2-ylindole
CID 134890484
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene
CID 88896043
5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115038305
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
CID 115073347
2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
CID 169203495
5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one
CID 157042479
7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole
CID 171760611
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523765

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-nitroso-1-propan-2-ylindole?
The IUPAC name of 7-methoxy-4-nitroso-1-propan-2-ylindole (CID 88972934) is 7-methoxy-4-nitroso-1-propan-2-ylindole.
What is the SMILES notation for 7-methoxy-4-nitroso-1-propan-2-ylindole?
The canonical SMILES for 7-methoxy-4-nitroso-1-propan-2-ylindole is COc1ccc(N=O)c2ccn(C(C)C)c12.
What is the InChIKey of 7-methoxy-4-nitroso-1-propan-2-ylindole?
The InChIKey is VCUGOTVAZQTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)14-7-6-9-10(13-15)4-5-11(16-3)12(9)14/h4-8H,1-3H3.
What are the key properties of 7-methoxy-4-nitroso-1-propan-2-ylindole?
7-methoxy-4-nitroso-1-propan-2-ylindole has a molecular weight of 218.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-nitroso-1-propan-2-ylindole is sourced from PubChem (CID 88972934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).