ethyl N-(oxolan-2-ylmethyl)carbamate

C8H15NO3 — CID 5104931

IUPACethyl N-(oxolan-2-ylmethyl)carbamate
SMILESCCOC(=O)NCC1CCCO1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)9-6-7-4-3-5-12-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyUSSONFYBOVQTPL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.91
Rot. Bonds3

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

ethyl N-(oxolan-2-ylmethyl)carbamate (PubChem CID 5104931) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(oxolan-2-ylmethyl)carbamate
PubChem CID5104931
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl N-(oxolan-2-ylmethyl)carbamate
SMILESCCOC(=O)NCC1CCCO1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)9-6-7-4-3-5-12-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyUSSONFYBOVQTPL-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of ethyl N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of ethyl N-(oxolan-2-ylmethyl)carbamate (CID 5104931) is ethyl N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(oxolan-2-ylmethyl)carbamate is CCOC(=O)NCC1CCCO1.
What is the InChIKey of ethyl N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is USSONFYBOVQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-11-8(10)9-6-7-4-3-5-12-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of ethyl N-(oxolan-2-ylmethyl)carbamate?
ethyl N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 5104931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).