6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

C15H17ClN2O2 — CID 115560542

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CC4CCCC4C3)c(Cl)cc2C1O
InChIInChI=1S/C15H17ClN2O2/c16-11-4-10-12(17-15(20)14(10)19)5-13(11)18-6-8-2-1-3-9(8)7-18/h4-5,8-9,14,19H,1-3,6-7H2,(H,17,20)
InChIKeyVCMZVRBHAMWSQR-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.56
Rot. Bonds1

About 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 115560542) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID115560542
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CC4CCCC4C3)c(Cl)cc2C1O
InChIInChI=1S/C15H17ClN2O2/c16-11-4-10-12(17-15(20)14(10)19)5-13(11)18-6-8-2-1-3-9(8)7-18/h4-5,8-9,14,19H,1-3,6-7H2,(H,17,20)
InChIKeyVCMZVRBHAMWSQR-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335937
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-chloro-3-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 79336696
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889556
5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 79335932
5-chloro-6-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 107456625
5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349
5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349114
5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 79345000

Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (CID 115560542) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(N3CC4CCCC4C3)c(Cl)cc2C1O.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is VCMZVRBHAMWSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-4-10-12(17-15(20)14(10)19)5-13(11)18-6-8-2-1-3-9(8)7-18/h4-5,8-9,14,19H,1-3,6-7H2,(H,17,20).
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 115560542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).