5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one

C17H22N2O2 — CID 110768313

IUPAC5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-18-15-7-6-13(10-14(15)12-16(18)20)11-17(21)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3
InChIKeyYCKPZKGQTGVJAB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.15
Rot. Bonds2

About 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one

5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one (PubChem CID 110768313) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
PubChem CID110768313
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-18-15-7-6-13(10-14(15)12-16(18)20)11-17(21)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3
InChIKeyYCKPZKGQTGVJAB-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 110799888
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110801908
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640960
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
1-methyl-5-(4-pentanoyl-1,4-diazepane-1-carbonyl)-3H-indol-2-one
CID 110806698

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one (CID 110768313) is 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(CC(=O)N3CCCCCC3)ccc21.
What is the InChIKey of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one?
The InChIKey is YCKPZKGQTGVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-15-7-6-13(10-14(15)12-16(18)20)11-17(21)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3.
What are the key properties of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one?
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 110768313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).