methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate

C10H19NO3 — CID 144904735

IUPACmethyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)C1CCOC(C)C1
InChIInChI=1S/C10H19NO3/c1-7-6-9(4-5-14-7)8(2)11-10(12)13-3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyDFOUZEHIGHBKQV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.55
Rot. Bonds2

About methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate

methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate (PubChem CID 144904735) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate
PubChem CID144904735
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)C1CCOC(C)C1
InChIInChI=1S/C10H19NO3/c1-7-6-9(4-5-14-7)8(2)11-10(12)13-3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyDFOUZEHIGHBKQV-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate?
The IUPAC name of methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate (CID 144904735) is methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate is COC(=O)NC(C)C1CCOC(C)C1.
What is the InChIKey of methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate?
The InChIKey is DFOUZEHIGHBKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-6-9(4-5-14-7)8(2)11-10(12)13-3/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate?
methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate is sourced from PubChem (CID 144904735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).