3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one

C13H15N3O3 — CID 63004308

IUPAC3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1CCN(c2ccc3c(c2)NC(=O)C3O)CCN1
InChIInChI=1S/C13H15N3O3/c17-11-3-5-16(6-4-14-11)8-1-2-9-10(7-8)15-13(19)12(9)18/h1-2,7,12,18H,3-6H2,(H,14,17)(H,15,19)
InChIKeyQXBNDQFRKBPTBS-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.00
Rot. Bonds1

About 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one

3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one (PubChem CID 63004308) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
PubChem CID63004308
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1CCN(c2ccc3c(c2)NC(=O)C3O)CCN1
InChIInChI=1S/C13H15N3O3/c17-11-3-5-16(6-4-14-11)8-1-2-9-10(7-8)15-13(19)12(9)18/h1-2,7,12,18H,3-6H2,(H,14,17)(H,15,19)
InChIKeyQXBNDQFRKBPTBS-UHFFFAOYSA-N
XLogP-0.00
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one (CID 63004308) is 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one is O=C1CCN(c2ccc3c(c2)NC(=O)C3O)CCN1.
What is the InChIKey of 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is QXBNDQFRKBPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11-3-5-16(6-4-14-11)8-1-2-9-10(7-8)15-13(19)12(9)18/h1-2,7,12,18H,3-6H2,(H,14,17)(H,15,19).
What are the key properties of 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 261.28 g/mol, XLogP of -0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63004308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).