1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone

C15H17N3O3 — CID 91897411

IUPAC1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
SMILESO=NCc1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O3/c19-15(17-5-7-21-8-6-17)11-18-10-12(9-16-20)13-3-1-2-4-14(13)18/h1-4,10H,5-9,11H2
InChIKeyYRKUARKLWOWCNZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.77
Rot. Bonds4

About 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone

1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone (PubChem CID 91897411) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
PubChem CID91897411
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
SMILESO=NCc1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O3/c19-15(17-5-7-21-8-6-17)11-18-10-12(9-16-20)13-3-1-2-4-14(13)18/h1-4,10H,5-9,11H2
InChIKeyYRKUARKLWOWCNZ-UHFFFAOYSA-N
XLogP1.77
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
CID 662696
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650
2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 110211306
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4075467
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone (CID 91897411) is 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone is O=NCc1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone?
The InChIKey is YRKUARKLWOWCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(17-5-7-21-8-6-17)11-18-10-12(9-16-20)13-3-1-2-4-14(13)18/h1-4,10H,5-9,11H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone?
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone is sourced from PubChem (CID 91897411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).