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

C16H20ClNO — CID 61084776

IUPAC5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)CCC3CCCC3)ccc2N1
InChIInChI=1S/C16H20ClNO/c17-14(7-5-11-3-1-2-4-11)12-6-8-15-13(9-12)10-16(19)18-15/h6,8-9,11,14H,1-5,7,10H2,(H,18,19)
InChIKeyFNHLVCOIBGLTTB-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.43
Rot. Bonds4

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

5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one (PubChem CID 61084776) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
PubChem CID61084776
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)CCC3CCCC3)ccc2N1
InChIInChI=1S/C16H20ClNO/c17-14(7-5-11-3-1-2-4-11)12-6-8-15-13(9-12)10-16(19)18-15/h6,8-9,11,14H,1-5,7,10H2,(H,18,19)
InChIKeyFNHLVCOIBGLTTB-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010047
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one (CID 61084776) is 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)CCC3CCCC3)ccc2N1.
What is the InChIKey of 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is FNHLVCOIBGLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-14(7-5-11-3-1-2-4-11)12-6-8-15-13(9-12)10-16(19)18-15/h6,8-9,11,14H,1-5,7,10H2,(H,18,19).
What are the key properties of 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one?
5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 277.79 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61084776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).