ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate

C9H17NO3 — CID 63547898

IUPACethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCCOC(=O)N(C)CC1CCCO1
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)10(2)7-8-5-4-6-13-8/h8H,3-7H2,1-2H3
InChIKeyJXVGZOGVURBMKP-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds3

About ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate

ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate (PubChem CID 63547898) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
PubChem CID63547898
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCCOC(=O)N(C)CC1CCCO1
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)10(2)7-8-5-4-6-13-8/h8H,3-7H2,1-2H3
InChIKeyJXVGZOGVURBMKP-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate (CID 63547898) is ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate is CCOC(=O)N(C)CC1CCCO1.
What is the InChIKey of ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is JXVGZOGVURBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-12-9(11)10(2)7-8-5-4-6-13-8/h8H,3-7H2,1-2H3.
What are the key properties of ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 63547898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).