9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H22N2O4 — CID 97384667

IUPAC9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C(=O)C3CCOCC3)CC2)CN1
InChIInChI=1S/C14H22N2O4/c17-12-9-20-14(10-15-12)3-5-16(6-4-14)13(18)11-1-7-19-8-2-11/h11H,1-10H2,(H,15,17)
InChIKeyJNGUFIFCOJOCAU-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.08
Rot. Bonds1

About 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384667) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384667
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C(=O)C3CCOCC3)CC2)CN1
InChIInChI=1S/C14H22N2O4/c17-12-9-20-14(10-15-12)3-5-16(6-4-14)13(18)11-1-7-19-8-2-11/h11H,1-10H2,(H,15,17)
InChIKeyJNGUFIFCOJOCAU-UHFFFAOYSA-N
XLogP-0.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384667) is 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(C(=O)C3CCOCC3)CC2)CN1.
What is the InChIKey of 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JNGUFIFCOJOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-9-20-14(10-15-12)3-5-16(6-4-14)13(18)11-1-7-19-8-2-11/h11H,1-10H2,(H,15,17).
What are the key properties of 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 282.34 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).