6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one

C15H20N2O2 — CID 43586661

IUPAC6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCCCCCC3)ccc2C1O
InChIInChI=1S/C15H20N2O2/c18-14-12-7-6-11(10-13(12)16-15(14)19)17-8-4-2-1-3-5-9-17/h6-7,10,14,18H,1-5,8-9H2,(H,16,19)
InChIKeyHPYAPYFKNCRDTR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds1

About 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one

6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 43586661) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID43586661
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCCCCCC3)ccc2C1O
InChIInChI=1S/C15H20N2O2/c18-14-12-7-6-11(10-13(12)16-15(14)19)17-8-4-2-1-3-5-9-17/h6-7,10,14,18H,1-5,8-9H2,(H,16,19)
InChIKeyHPYAPYFKNCRDTR-UHFFFAOYSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
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

3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 62974329
3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 63004308
3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 43586643
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
3-hydroxy-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
CID 79929641
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43586553
6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 62936578
6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586866
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one
CID 66054644

Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one (CID 43586661) is 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(N3CCCCCCC3)ccc2C1O.
What is the InChIKey of 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is HPYAPYFKNCRDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-12-7-6-11(10-13(12)16-15(14)19)17-8-4-2-1-3-5-9-17/h6-7,10,14,18H,1-5,8-9H2,(H,16,19).
What are the key properties of 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).