1-oxopropan-2-yl N-ethylcarbamate

C6H11NO3 — CID 144603296

IUPAC1-oxopropan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC(C)C=O
InChIInChI=1S/C6H11NO3/c1-3-7-6(9)10-5(2)4-8/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyTXOGIADHXIRPHY-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.32
Rot. Bonds3

About 1-oxopropan-2-yl N-ethylcarbamate

1-oxopropan-2-yl N-ethylcarbamate (PubChem CID 144603296) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-oxopropan-2-yl N-ethylcarbamate.

Molecular Properties

Compound Name1-oxopropan-2-yl N-ethylcarbamate
PubChem CID144603296
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1-oxopropan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC(C)C=O
InChIInChI=1S/C6H11NO3/c1-3-7-6(9)10-5(2)4-8/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyTXOGIADHXIRPHY-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-oxopropan-2-yl N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-oxopropan-2-yl] butanoate
CID 124506646
6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
CID 86138659
(2-formyl-3-hydroxypropyl) N-ethylcarbamate
CID 91253334
1-oxopropan-2-yl 2-oxoacetate
CID 129299934
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
CID 146437962
1-oxopropan-2-yloxycarbonyl acetate
CID 57152408
[3-amino-3-(aminomethyl)-4-(ethylcarbamoyloxy)pentan-2-yl] N-ethylcarbamate;dihydrochloride
CID 88519817
1-oxopropan-2-yl 2-hydroxy-2-methylbutanoate
CID 163983803
[3-amino-3-(2-aminoethyl)-4-(ethylcarbamoyloxy)pentan-2-yl] N-ethylcarbamate;dihydrochloride
CID 88519807
2-(2-methylpropylamino)ethyl N-ethylcarbamate
CID 138728445
2-oxoethyl N-ethylcarbamoperoxoate
CID 121415278

Frequently Asked Questions

What is the IUPAC name of 1-oxopropan-2-yl N-ethylcarbamate?
The IUPAC name of 1-oxopropan-2-yl N-ethylcarbamate (CID 144603296) is 1-oxopropan-2-yl N-ethylcarbamate.
What is the SMILES notation for 1-oxopropan-2-yl N-ethylcarbamate?
The canonical SMILES for 1-oxopropan-2-yl N-ethylcarbamate is CCNC(=O)OC(C)C=O.
What is the InChIKey of 1-oxopropan-2-yl N-ethylcarbamate?
The InChIKey is TXOGIADHXIRPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-7-6(9)10-5(2)4-8/h4-5H,3H2,1-2H3,(H,7,9).
What are the key properties of 1-oxopropan-2-yl N-ethylcarbamate?
1-oxopropan-2-yl N-ethylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxopropan-2-yl N-ethylcarbamate is sourced from PubChem (CID 144603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).