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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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).