methyl N-(2-methyloxan-4-yl)carbamate

C8H15NO3 — CID 103889470

IUPACmethyl N-(2-methyloxan-4-yl)carbamate
SMILESCOC(=O)NC1CCOC(C)C1
InChIInChI=1S/C8H15NO3/c1-6-5-7(3-4-12-6)9-8(10)11-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyWVOPZNLTUQTYJH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.91
Rot. Bonds1

About methyl N-(2-methyloxan-4-yl)carbamate

methyl N-(2-methyloxan-4-yl)carbamate (PubChem CID 103889470) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-(2-methyloxan-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyloxan-4-yl)carbamate
PubChem CID103889470
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-(2-methyloxan-4-yl)carbamate
SMILESCOC(=O)NC1CCOC(C)C1
InChIInChI=1S/C8H15NO3/c1-6-5-7(3-4-12-6)9-8(10)11-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyWVOPZNLTUQTYJH-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-tert-butyl N-{[(2R,4R)-4-aminooxan-2-yl]methyl}carbamate
CID 137964418
tert-butyl N-((4-aminooxan-2-yl)methyl)carbamate
CID 172641604
(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one
CID 134968378
tert-butyl N-(oxan-4-yl)carbamate
CID 63788698
[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate
CID 101426810
N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide
CID 134859283
(4R)-4-propyl-1,3-oxazinan-2-one
CID 162410725
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
cyclohexyl N-propan-2-ylcarbamate
CID 20500806
4-Formamidohexan-2-yl formate
CID 20617665
cyclohexyl N-butylcarbamate
CID 54380894
propan-2-yl N-(oxan-4-yl)carbamate
CID 58469300

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyloxan-4-yl)carbamate?
The IUPAC name of methyl N-(2-methyloxan-4-yl)carbamate (CID 103889470) is methyl N-(2-methyloxan-4-yl)carbamate.
What is the SMILES notation for methyl N-(2-methyloxan-4-yl)carbamate?
The canonical SMILES for methyl N-(2-methyloxan-4-yl)carbamate is COC(=O)NC1CCOC(C)C1.
What is the InChIKey of methyl N-(2-methyloxan-4-yl)carbamate?
The InChIKey is WVOPZNLTUQTYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-5-7(3-4-12-6)9-8(10)11-2/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl N-(2-methyloxan-4-yl)carbamate?
methyl N-(2-methyloxan-4-yl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyloxan-4-yl)carbamate is sourced from PubChem (CID 103889470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).