6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one

C17H22N2O2 — CID 102712720

IUPAC6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCCC1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C17H22N2O2/c1-2-14-6-4-3-5-9-19(14)17(21)13-8-7-12-11-16(20)18-15(12)10-13/h7-8,10,14H,2-6,9,11H2,1H3,(H,18,20)
InChIKeyKORWIZPMHAGACU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.98
Rot. Bonds2

About 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one

6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 102712720) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one
PubChem CID102712720
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCCC1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C17H22N2O2/c1-2-14-6-4-3-5-9-19(14)17(21)13-8-7-12-11-16(20)18-15(12)10-13/h7-8,10,14H,2-6,9,11H2,1H3,(H,18,20)
InChIKeyKORWIZPMHAGACU-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
2-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 102710678
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711907
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
(2-ethylpiperidin-1-yl)-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 51147915

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one (CID 102712720) is 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one is CCC1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is KORWIZPMHAGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-14-6-4-3-5-9-19(14)17(21)13-8-7-12-11-16(20)18-15(12)10-13/h7-8,10,14H,2-6,9,11H2,1H3,(H,18,20).
What are the key properties of 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one?
6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102712720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).