methyl N-(2-methyloxolan-3-yl)carbamate

C7H13NO3 — CID 115869605

IUPACmethyl N-(2-methyloxolan-3-yl)carbamate
SMILESCOC(=O)NC1CCOC1C
InChIInChI=1S/C7H13NO3/c1-5-6(3-4-11-5)8-7(9)10-2/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyAHMDPZRIWJIRQH-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.52
Rot. Bonds1

About methyl N-(2-methyloxolan-3-yl)carbamate

methyl N-(2-methyloxolan-3-yl)carbamate (PubChem CID 115869605) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl N-(2-methyloxolan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyloxolan-3-yl)carbamate
PubChem CID115869605
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl N-(2-methyloxolan-3-yl)carbamate
SMILESCOC(=O)NC1CCOC1C
InChIInChI=1S/C7H13NO3/c1-5-6(3-4-11-5)8-7(9)10-2/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyAHMDPZRIWJIRQH-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea
CID 130659298
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324
trans-(1R,2R)-2-methyl-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 130637471
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033634
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
CID 82726709
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551068
2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide
CID 136518749
4-methyl-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 115869158

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyloxolan-3-yl)carbamate?
The IUPAC name of methyl N-(2-methyloxolan-3-yl)carbamate (CID 115869605) is methyl N-(2-methyloxolan-3-yl)carbamate.
What is the SMILES notation for methyl N-(2-methyloxolan-3-yl)carbamate?
The canonical SMILES for methyl N-(2-methyloxolan-3-yl)carbamate is COC(=O)NC1CCOC1C.
What is the InChIKey of methyl N-(2-methyloxolan-3-yl)carbamate?
The InChIKey is AHMDPZRIWJIRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-6(3-4-11-5)8-7(9)10-2/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of methyl N-(2-methyloxolan-3-yl)carbamate?
methyl N-(2-methyloxolan-3-yl)carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyloxolan-3-yl)carbamate is sourced from PubChem (CID 115869605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).