5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one

C17H21NO2 — CID 65018582

IUPAC5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCCCCCC3)ccc2N1
InChIInChI=1S/C17H21NO2/c19-16-11-14-10-13(8-9-15(14)18-16)17(20)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,18,19)
InChIKeyYUKCSKYODUTBJT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.72
Rot. Bonds2

About 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one

5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one (PubChem CID 65018582) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
PubChem CID65018582
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCCCCCC3)ccc2N1
InChIInChI=1S/C17H21NO2/c19-16-11-14-10-13(8-9-15(14)18-16)17(20)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,18,19)
InChIKeyYUKCSKYODUTBJT-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43338771
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
CID 22827913
6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006893
5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
CID 116826431
(E)-3-cyclobutyl-3-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enoic acid
CID 82299852
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211

Frequently Asked Questions

What is the IUPAC name of 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one (CID 65018582) is 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C3CCCCCCC3)ccc2N1.
What is the InChIKey of 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one?
The InChIKey is YUKCSKYODUTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16-11-14-10-13(8-9-15(14)18-16)17(20)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,18,19).
What are the key properties of 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one?
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 65018582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).