2-oxa-6-azaspiro[3.4]octan-5-one

C6H9NO2 — CID 130138944

IUPAC2-oxa-6-azaspiro[3.4]octan-5-one
SMILESO=C1NCCC12COC2
InChIInChI=1S/C6H9NO2/c8-5-6(1-2-7-5)3-9-4-6/h1-4H2,(H,7,8)
InChIKeyYWHFSCDSKMBELA-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.48
Rot. Bonds

About 2-oxa-6-azaspiro[3.4]octan-5-one

2-oxa-6-azaspiro[3.4]octan-5-one (PubChem CID 130138944) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-oxa-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name2-oxa-6-azaspiro[3.4]octan-5-one
PubChem CID130138944
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-oxa-6-azaspiro[3.4]octan-5-one
SMILESO=C1NCCC12COC2
InChIInChI=1S/C6H9NO2/c8-5-6(1-2-7-5)3-9-4-6/h1-4H2,(H,7,8)
InChIKeyYWHFSCDSKMBELA-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methoxymethyl)pyrrolidin-2-one
CID 10351722
2-Oxa-6-azaspiro(3.4)octan-7-one
CID 53484295
3-(Hydroxymethyl)-3-methylpyrrolidin-2-one
CID 84072646
(3R)-3-fluoro-3-(methoxymethyl)pyrrolidin-2-one
CID 175917678
5-Methoxy-3,3-dimethyl-pyrrolidin-2-one
CID 565995
8-(Trifluoromethyl)-2-oxa-6-azaspiro[3.4]octan-7-one
CID 178412151
3-(Ethoxymethyl)pyrrolidin-2-one
CID 18442681
3-(Propoxymethyl)pyrrolidin-2-one
CID 18442692
3-(Hydroperoxymethyl)-4,4-dimethylpyrrolidin-2-one
CID 54048621
4-(Methoxymethyl)-4-methylpyrrolidin-2-one
CID 65954616
3-(Methoxymethyl)-2-oxopyrrolidine-3-carbonitrile
CID 91618512
6-Methyl-2-oxa-6-azaspiro[3.4]octan-5-one
CID 117986989

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azaspiro[3.4]octan-5-one?
The IUPAC name of 2-oxa-6-azaspiro[3.4]octan-5-one (CID 130138944) is 2-oxa-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for 2-oxa-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for 2-oxa-6-azaspiro[3.4]octan-5-one is O=C1NCCC12COC2.
What is the InChIKey of 2-oxa-6-azaspiro[3.4]octan-5-one?
The InChIKey is YWHFSCDSKMBELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-6(1-2-7-5)3-9-4-6/h1-4H2,(H,7,8).
What are the key properties of 2-oxa-6-azaspiro[3.4]octan-5-one?
2-oxa-6-azaspiro[3.4]octan-5-one has a molecular weight of 127.14 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 130138944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).