ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate

C17H20N2O3 — CID 139256735

IUPACethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate
SMILESC=C(Cc1cc(C(=O)N(C)C)c2ccccn12)C(=O)OCC
InChIInChI=1S/C17H20N2O3/c1-5-22-17(21)12(2)10-13-11-14(16(20)18(3)4)15-8-6-7-9-19(13)15/h6-9,11H,2,5,10H2,1,3-4H3
InChIKeyCXRXLTFHOPPLMD-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate

ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate (PubChem CID 139256735) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate
PubChem CID139256735
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate
SMILESC=C(Cc1cc(C(=O)N(C)C)c2ccccn12)C(=O)OCC
InChIInChI=1S/C17H20N2O3/c1-5-22-17(21)12(2)10-13-11-14(16(20)18(3)4)15-8-6-7-9-19(13)15/h6-9,11H,2,5,10H2,1,3-4H3
InChIKeyCXRXLTFHOPPLMD-UHFFFAOYSA-N
XLogP2.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate 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

ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 4-[1-(3-aminobenzoyl)indolizin-3-yl]butanoate
CID 10904244
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033
ethyl 2-carbazol-9-ylprop-2-enoate
CID 23150324
ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate
CID 57466037
tert-butyl 3-(2-ethoxycarbonylprop-2-enyl)indole-1-carboxylate
CID 138968343
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 3-[(S)-(3,5-dimethylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270137
ethyl 3-[(S)-anilino-(4-methylphenyl)methyl]indolizine-1-carboxylate
CID 146270144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate (CID 139256735) is ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate is C=C(Cc1cc(C(=O)N(C)C)c2ccccn12)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate?
The InChIKey is CXRXLTFHOPPLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-5-22-17(21)12(2)10-13-11-14(16(20)18(3)4)15-8-6-7-9-19(13)15/h6-9,11H,2,5,10H2,1,3-4H3.
What are the key properties of ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate?
ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate has a molecular weight of 300.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate is sourced from PubChem (CID 139256735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).