methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate

C6H9NO3 — CID 12509742

IUPACmethyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate
SMILESCOC(=O)N/C=C(/C)C=O
InChIInChI=1S/C6H9NO3/c1-5(4-8)3-7-6(9)10-2/h3-4H,1-2H3,(H,7,9)/b5-3-
InChIKeyYMJPKQJLQWLDBU-HYXAFXHYSA-N
MW143.14 g/mol
LogP0.45
Rot. Bonds2

About methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate

methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate (PubChem CID 12509742) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate
PubChem CID12509742
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate
SMILESCOC(=O)N/C=C(/C)C=O
InChIInChI=1S/C6H9NO3/c1-5(4-8)3-7-6(9)10-2/h3-4H,1-2H3,(H,7,9)/b5-3-
InChIKeyYMJPKQJLQWLDBU-HYXAFXHYSA-N
XLogP0.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate 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

methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate
CID 12714068
methyl (E)-3-methyl-4-oxobut-2-enoate
CID 10953519
methyl N-[(1E,3E)-hexa-1,3,5-trienyl]carbamate
CID 5368703
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
amino N-(2-methylprop-1-enyl)carbamate
CID 174967018
methyl N-propa-1,2-dienylcarbamate
CID 15688714
methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen
CID 160751832
acetaldehyde;methane;methyl acetate
CID 157361598
methanol;methyl 2-oxoacetate
CID 87864048
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353
ethyl (E)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 102101774
ethyl N-(2-chloro-3-oxoprop-1-enyl)carbamate
CID 154074178

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate?
The IUPAC name of methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate (CID 12509742) is methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate.
What is the SMILES notation for methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate?
The canonical SMILES for methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate is COC(=O)N/C=C(/C)C=O.
What is the InChIKey of methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate?
The InChIKey is YMJPKQJLQWLDBU-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-5(4-8)3-7-6(9)10-2/h3-4H,1-2H3,(H,7,9)/b5-3-.
What are the key properties of methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate?
methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate has a molecular weight of 143.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate is sourced from PubChem (CID 12509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).