oxolan-3-yl N-ethyl-N-methylcarbamate

C8H15NO3 — CID 91397459

IUPACoxolan-3-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CCOC1
InChIInChI=1S/C8H15NO3/c1-3-9(2)8(10)12-7-4-5-11-6-7/h7H,3-6H2,1-2H3
InChIKeyBYRGXHRJXYLIIJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.86
Rot. Bonds2

About oxolan-3-yl N-ethyl-N-methylcarbamate

oxolan-3-yl N-ethyl-N-methylcarbamate (PubChem CID 91397459) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is oxolan-3-yl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-ethyl-N-methylcarbamate
PubChem CID91397459
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameoxolan-3-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CCOC1
InChIInChI=1S/C8H15NO3/c1-3-9(2)8(10)12-7-4-5-11-6-7/h7H,3-6H2,1-2H3
InChIKeyBYRGXHRJXYLIIJ-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

ethane;oxolan-3-yl N,N-dimethylcarbamate;propane
CID 144509155
[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate
CID 54218239
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468674
oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
CID 146799591
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 126699796
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-ethyl-N-methylcarbamate?
The IUPAC name of oxolan-3-yl N-ethyl-N-methylcarbamate (CID 91397459) is oxolan-3-yl N-ethyl-N-methylcarbamate.
What is the SMILES notation for oxolan-3-yl N-ethyl-N-methylcarbamate?
The canonical SMILES for oxolan-3-yl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-ethyl-N-methylcarbamate?
The InChIKey is BYRGXHRJXYLIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-9(2)8(10)12-7-4-5-11-6-7/h7H,3-6H2,1-2H3.
What are the key properties of oxolan-3-yl N-ethyl-N-methylcarbamate?
oxolan-3-yl N-ethyl-N-methylcarbamate has a molecular weight of 173.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 91397459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).