5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one

C17H22ClNO — CID 114458659

IUPAC5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)CC3CCCCCC3)ccc2N1
InChIInChI=1S/C17H22ClNO/c18-15(9-12-5-3-1-2-4-6-12)13-7-8-16-14(10-13)11-17(20)19-16/h7-8,10,12,15H,1-6,9,11H2,(H,19,20)
InChIKeyPHPUYJHYWBMUAK-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.82
Rot. Bonds3

About 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one

5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one (PubChem CID 114458659) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
PubChem CID114458659
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)CC3CCCCCC3)ccc2N1
InChIInChI=1S/C17H22ClNO/c18-15(9-12-5-3-1-2-4-6-12)13-7-8-16-14(10-13)11-17(20)19-16/h7-8,10,12,15H,1-6,9,11H2,(H,19,20)
InChIKeyPHPUYJHYWBMUAK-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
CID 61084776
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one (CID 114458659) is 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)CC3CCCCCC3)ccc2N1.
What is the InChIKey of 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one?
The InChIKey is PHPUYJHYWBMUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-15(9-12-5-3-1-2-4-6-12)13-7-8-16-14(10-13)11-17(20)19-16/h7-8,10,12,15H,1-6,9,11H2,(H,19,20).
What are the key properties of 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one?
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one has a molecular weight of 291.82 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114458659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).