4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one

C11H19NO2 — CID 45091901

IUPAC4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one
SMILESCC1NC(=O)OC12CCCCCCC2
InChIInChI=1S/C11H19NO2/c1-9-11(14-10(13)12-9)7-5-3-2-4-6-8-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyOVVQPPYBGBMDBO-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.60
Rot. Bonds

About 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one

4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one (PubChem CID 45091901) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one.

Molecular Properties

Compound Name4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one
PubChem CID45091901
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one
SMILESCC1NC(=O)OC12CCCCCCC2
InChIInChI=1S/C11H19NO2/c1-9-11(14-10(13)12-9)7-5-3-2-4-6-8-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyOVVQPPYBGBMDBO-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-3-azaspiro[4.6]undecan-2-one
CID 349659
8,8-Difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 118366432
4-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 298863
(8aS)-8a-methyl-3a,4,5,6,7,8-hexahydro-3H-cyclohepta[d][1,3]oxazol-2-one
CID 101716071
8a-methyl-3a,4,5,6,7,8-hexahydro-3H-cyclohepta[d][1,3]oxazol-2-one
CID 130024158
(3aR,8aS)-8a-methyl-3a,4,5,6,7,8-hexahydro-3H-cyclohepta[d][1,3]oxazol-2-one
CID 131852549
(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one
CID 134861233
(4S)-4-propan-2-yl-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11686508
5-Cyclohexyl-4-ethyl-1,3-oxazolidin-2-one
CID 56987519
4-Butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 59657455
(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 59657475
4-Butyl-1-oxa-3,8-diaza-spiro[4.5]decane-2-one
CID 59657483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one?
The IUPAC name of 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one (CID 45091901) is 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one.
What is the SMILES notation for 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one?
The canonical SMILES for 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one is CC1NC(=O)OC12CCCCCCC2.
What is the InChIKey of 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one?
The InChIKey is OVVQPPYBGBMDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-11(14-10(13)12-9)7-5-3-2-4-6-8-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one?
4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-3-azaspiro[4.7]dodecan-2-one is sourced from PubChem (CID 45091901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).