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

C8H15NO3 — CID 116657138

IUPACmethyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
SMILESCOC(=O)N(C)C1CCOC1C
InChIInChI=1S/C8H15NO3/c1-6-7(4-5-12-6)9(2)8(10)11-3/h6-7H,4-5H2,1-3H3
InChIKeyDTECZXSNWRVWDE-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.86
Rot. Bonds1

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

methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate (PubChem CID 116657138) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
PubChem CID116657138
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
SMILESCOC(=O)N(C)C1CCOC1C
InChIInChI=1S/C8H15NO3/c1-6-7(4-5-12-6)9(2)8(10)11-3/h6-7H,4-5H2,1-3H3
InChIKeyDTECZXSNWRVWDE-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
CID 82742663
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 116657140
N-methyl-N-(2-methyloxolan-3-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82745104
7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide
CID 82738211
2-(2-aminoethoxy)-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82739040
(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738020
2-amino-N-[2-[methyl-(2-methyloxolan-3-yl)amino]-2-oxoethyl]acetamide
CID 82738399
3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82734199
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea
CID 116509678

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate?
The IUPAC name of methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate (CID 116657138) is methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate?
The canonical SMILES for methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate is COC(=O)N(C)C1CCOC1C.
What is the InChIKey of methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate?
The InChIKey is DTECZXSNWRVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-7(4-5-12-6)9(2)8(10)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate?
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate is sourced from PubChem (CID 116657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).