(3-methyloxetan-3-yl) N,N-diethylcarbamate

C9H17NO3 — CID 176942079

IUPAC(3-methyloxetan-3-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1(C)COC1
InChIInChI=1S/C9H17NO3/c1-4-10(5-2)8(11)13-9(3)6-12-7-9/h4-7H2,1-3H3
InChIKeyIVMACPMABUJVGZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds3

About (3-methyloxetan-3-yl) N,N-diethylcarbamate

(3-methyloxetan-3-yl) N,N-diethylcarbamate (PubChem CID 176942079) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3-methyloxetan-3-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl) N,N-diethylcarbamate
PubChem CID176942079
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3-methyloxetan-3-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1(C)COC1
InChIInChI=1S/C9H17NO3/c1-4-10(5-2)8(11)13-9(3)6-12-7-9/h4-7H2,1-3H3
InChIKeyIVMACPMABUJVGZ-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 (3-methyloxetan-3-yl) N,N-diethylcarbamate?
The IUPAC name of (3-methyloxetan-3-yl) N,N-diethylcarbamate (CID 176942079) is (3-methyloxetan-3-yl) N,N-diethylcarbamate.
What is the SMILES notation for (3-methyloxetan-3-yl) N,N-diethylcarbamate?
The canonical SMILES for (3-methyloxetan-3-yl) N,N-diethylcarbamate is CCN(CC)C(=O)OC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl) N,N-diethylcarbamate?
The InChIKey is IVMACPMABUJVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-10(5-2)8(11)13-9(3)6-12-7-9/h4-7H2,1-3H3.
What are the key properties of (3-methyloxetan-3-yl) N,N-diethylcarbamate?
(3-methyloxetan-3-yl) N,N-diethylcarbamate 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 (3-methyloxetan-3-yl) N,N-diethylcarbamate is sourced from PubChem (CID 176942079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).