(5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C8H14N2O2 — CID 86327839

IUPAC(5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@@]2(CCCNCC2)O1
InChIInChI=1S/C8H14N2O2/c11-7-10-6-8(12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11)/t8-/m0/s1
InChIKeyZGBXGJPUSCAJEA-QMMMGPOBSA-N
MW170.21 g/mol
LogP0.24
Rot. Bonds

About (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 86327839) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID86327839
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@@]2(CCCNCC2)O1
InChIInChI=1S/C8H14N2O2/c11-7-10-6-8(12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11)/t8-/m0/s1
InChIKeyZGBXGJPUSCAJEA-QMMMGPOBSA-N
XLogP0.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 86327839) is (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NC[C@@]2(CCCNCC2)O1.
What is the InChIKey of (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is ZGBXGJPUSCAJEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-10-6-8(12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11)/t8-/m0/s1.
What are the key properties of (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 86327839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).