1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one

C7H13N2O2+ — CID 51371515

IUPAC1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CC[NH2+]CC2)O1
InChIInChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)/p+1
InChIKeyLQGLKWIXYWZNGB-UHFFFAOYSA-O
MW157.19 g/mol
LogP-1.18
Rot. Bonds

About 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one

1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one (PubChem CID 51371515) has the molecular formula C7H13N2O2+ and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
PubChem CID51371515
Molecular FormulaC7H13N2O2+
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CC[NH2+]CC2)O1
InChIInChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)/p+1
InChIKeyLQGLKWIXYWZNGB-UHFFFAOYSA-O
XLogP-1.18
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The IUPAC name of 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one (CID 51371515) is 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The canonical SMILES for 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one is O=C1NCC2(CC[NH2+]CC2)O1.
What is the InChIKey of 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The InChIKey is LQGLKWIXYWZNGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)/p+1.
What are the key properties of 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one has a molecular weight of 157.19 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one is sourced from PubChem (CID 51371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).