3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one

C13H19NO2 — CID 12604735

IUPAC3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one
SMILESCN1CC2(OC1=O)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H19NO2/c1-14-7-13(16-12(14)15)10-3-8-2-9(5-10)6-11(13)4-8/h8-11H,2-7H2,1H3
InChIKeyUDZTZAZTIIKKDO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds

About 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one

3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one (PubChem CID 12604735) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one.

Molecular Properties

Compound Name3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one
PubChem CID12604735
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one
SMILESCN1CC2(OC1=O)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H19NO2/c1-14-7-13(16-12(14)15)10-3-8-2-9(5-10)6-11(13)4-8/h8-11H,2-7H2,1H3
InChIKeyUDZTZAZTIIKKDO-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro[1,3-oxazolidine-5,2'-adamantane]-2-one
CID 13650423
2-Oxospiro[1,3-oxazolidine-5,2'-adamantane]-3-carbothialdehyde
CID 23312561
(2-Methyl-2-adamantyl) piperidine-1-carboxylate
CID 67890582
(5S)-3-(2-adamantylmethyl)-5-cyclohexyl-1,3-oxazolidin-2-one
CID 68473471
3-(2-Adamantylmethyl)-5-cyclohexyl-1,3-oxazolidin-2-one
CID 68473472
3-(2-Adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 90146295
(2-Propan-2-yl-2-adamantyl) piperidine-1-carboxylate
CID 170530087
(2-Ethyl-2-adamantyl) piperidine-1-carboxylate
CID 170530173
3-Methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
CID 11608089
methyl (((1R,3S,5r,7r)-2-methoxyadamantan-2-yl)methyl)carbamate
CID 72719691
ethyl (((1R,3S,5r,7r)-2-methoxyadamantan-2-yl)methyl)carbamate
CID 90624052

Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one?
The IUPAC name of 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one (CID 12604735) is 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one.
What is the SMILES notation for 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one?
The canonical SMILES for 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one is CN1CC2(OC1=O)C1CC3CC(C1)CC2C3.
What is the InChIKey of 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one?
The InChIKey is UDZTZAZTIIKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-7-13(16-12(14)15)10-3-8-2-9(5-10)6-11(13)4-8/h8-11H,2-7H2,1H3.
What are the key properties of 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one?
3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one is sourced from PubChem (CID 12604735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).