ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one

C10H15NO3 — CID 68775006

IUPACethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one
SMILESC=C(C)C(=O)OCC.CC1=CNC1=O
InChIInChI=1S/C6H10O2.C4H5NO/c1-4-8-6(7)5(2)3;1-3-2-5-4(3)6/h2,4H2,1,3H3;2H,1H3,(H,5,6)
InChIKeyRXDHGOGHRXAMGR-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.15
Rot. Bonds2

About ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one

ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one (PubChem CID 68775006) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one
PubChem CID68775006
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one
SMILESC=C(C)C(=O)OCC.CC1=CNC1=O
InChIInChI=1S/C6H10O2.C4H5NO/c1-4-8-6(7)5(2)3;1-3-2-5-4(3)6/h2,4H2,1,3H3;2H,1H3,(H,5,6)
InChIKeyRXDHGOGHRXAMGR-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one?
The IUPAC name of ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one (CID 68775006) is ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one?
The canonical SMILES for ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one is C=C(C)C(=O)OCC.CC1=CNC1=O.
What is the InChIKey of ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one?
The InChIKey is RXDHGOGHRXAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H5NO/c1-4-8-6(7)5(2)3;1-3-2-5-4(3)6/h2,4H2,1,3H3;2H,1H3,(H,5,6).
What are the key properties of ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one?
ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;3-methyl-1H-azet-2-one is sourced from PubChem (CID 68775006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).