6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one

C14H16ClNO2 — CID 61082264

IUPAC6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)C3CCCC3)c(Cl)cc2N1
InChIInChI=1S/C14H16ClNO2/c15-11-7-12-9(6-13(17)16-12)5-10(11)14(18)8-3-1-2-4-8/h5,7-8,14,18H,1-4,6H2,(H,16,17)
InChIKeyGDJAIBVFDCBMHI-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.06
Rot. Bonds2

About 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one (PubChem CID 61082264) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
PubChem CID61082264
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)C3CCCC3)c(Cl)cc2N1
InChIInChI=1S/C14H16ClNO2/c15-11-7-12-9(6-13(17)16-12)5-10(11)14(18)8-3-1-2-4-8/h5,7-8,14,18H,1-4,6H2,(H,16,17)
InChIKeyGDJAIBVFDCBMHI-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43457516
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[bromo(oxan-3-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63015097
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one (CID 61082264) is 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)C3CCCC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one?
The InChIKey is GDJAIBVFDCBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-11-7-12-9(6-13(17)16-12)5-10(11)14(18)8-3-1-2-4-8/h5,7-8,14,18H,1-4,6H2,(H,16,17).
What are the key properties of 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one has a molecular weight of 265.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61082264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).