molecular hydrogen;2-oxopropyl N-methylcarbamate

C5H13NO3 — CID 163964571

IUPACmolecular hydrogen;2-oxopropyl N-methylcarbamate
SMILESCNC(=O)OCC(C)=O.[H][H].[H][H]
InChIInChI=1S/C5H9NO3.2H2/c1-4(7)3-9-5(8)6-2;;/h3H2,1-2H3,(H,6,8);2*1H
InChIKeySKNMBVVARSPBAK-UHFFFAOYSA-N
MW135.16 g/mol
LogP0.42
Rot. Bonds2

About molecular hydrogen;2-oxopropyl N-methylcarbamate

molecular hydrogen;2-oxopropyl N-methylcarbamate (PubChem CID 163964571) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is molecular hydrogen;2-oxopropyl N-methylcarbamate.

Molecular Properties

Compound Namemolecular hydrogen;2-oxopropyl N-methylcarbamate
PubChem CID163964571
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Namemolecular hydrogen;2-oxopropyl N-methylcarbamate
SMILESCNC(=O)OCC(C)=O.[H][H].[H][H]
InChIInChI=1S/C5H9NO3.2H2/c1-4(7)3-9-5(8)6-2;;/h3H2,1-2H3,(H,6,8);2*1H
InChIKeySKNMBVVARSPBAK-UHFFFAOYSA-N
XLogP0.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze molecular hydrogen;2-oxopropyl N-methylcarbamate 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

methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
iodomethyl N-methylcarbamate
CID 88927146
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
CID 58805091
[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate
CID 167524612
methanol;2-oxopropyl acetate
CID 174729097
2-oxopropyl acetate;bis(vanadium)
CID 175077929
ethyl N-methylcarbamate;formaldehyde
CID 160650405
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
ethane;propyl N-methylcarbamate
CID 142560404
1-aminooxypropan-2-one
CID 20700160
2-sulfanylideneethyl N-methylcarbamate
CID 22381418

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-oxopropyl N-methylcarbamate?
The IUPAC name of molecular hydrogen;2-oxopropyl N-methylcarbamate (CID 163964571) is molecular hydrogen;2-oxopropyl N-methylcarbamate.
What is the SMILES notation for molecular hydrogen;2-oxopropyl N-methylcarbamate?
The canonical SMILES for molecular hydrogen;2-oxopropyl N-methylcarbamate is CNC(=O)OCC(C)=O.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;2-oxopropyl N-methylcarbamate?
The InChIKey is SKNMBVVARSPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.2H2/c1-4(7)3-9-5(8)6-2;;/h3H2,1-2H3,(H,6,8);2*1H.
What are the key properties of molecular hydrogen;2-oxopropyl N-methylcarbamate?
molecular hydrogen;2-oxopropyl N-methylcarbamate has a molecular weight of 135.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-oxopropyl N-methylcarbamate is sourced from PubChem (CID 163964571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).