(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone

C10H17NO3 — CID 110739759

IUPAC(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
SMILESCC1OCCCN1C(=O)C1CCCO1
InChIInChI=1S/C10H17NO3/c1-8-11(5-3-7-13-8)10(12)9-4-2-6-14-9/h8-9H,2-7H2,1H3
InChIKeySEEWGWZZSITGGQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.76
Rot. Bonds1

About (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone

(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone (PubChem CID 110739759) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
PubChem CID110739759
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
SMILESCC1OCCCN1C(=O)C1CCCO1
InChIInChI=1S/C10H17NO3/c1-8-11(5-3-7-13-8)10(12)9-4-2-6-14-9/h8-9H,2-7H2,1H3
InChIKeySEEWGWZZSITGGQ-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(2-methyl-1,3-oxazinan-3-yl)methanone
CID 110739832
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 59266604
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 130834478
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone (CID 110739759) is (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone is CC1OCCCN1C(=O)C1CCCO1.
What is the InChIKey of (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone?
The InChIKey is SEEWGWZZSITGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8-11(5-3-7-13-8)10(12)9-4-2-6-14-9/h8-9H,2-7H2,1H3.
What are the key properties of (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone?
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 110739759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).