methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate

C18H15NO3 — CID 54764304

IUPACmethyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2cccc(C)c2)n2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-6-5-7-13(10-12)17(20)16-11-14(18(21)22-2)15-8-3-4-9-19(15)16/h3-11H,1-2H3
InChIKeyNHZHEZRCSYDIFH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.27
Rot. Bonds3

About methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate

methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate (PubChem CID 54764304) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
PubChem CID54764304
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2cccc(C)c2)n2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-6-5-7-13(10-12)17(20)16-11-14(18(21)22-2)15-8-3-4-9-19(15)16/h3-11H,1-2H3
InChIKeyNHZHEZRCSYDIFH-UHFFFAOYSA-N
XLogP3.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate 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 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
methyl 7-methyl-3-(3-nitrobenzoyl)indolizine-1-carboxylate
CID 5048123
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 3-[1-(4-tert-butylphenyl)ethenyl]indolizine-1-carboxylate
CID 102172690
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
3-benzoyl-7-methylindolizine-1-carboxylic acid
CID 118724660
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide
CID 118724663
bis(3-methylphenyl)methanone
CID 17848
methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate
CID 21245060
methyl 1-cyanoindolizine-3-carboxylate
CID 11127276
methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate
CID 3309986

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate?
The IUPAC name of methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate (CID 54764304) is methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate?
The canonical SMILES for methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate is COC(=O)c1cc(C(=O)c2cccc(C)c2)n2ccccc12.
What is the InChIKey of methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate?
The InChIKey is NHZHEZRCSYDIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-6-5-7-13(10-12)17(20)16-11-14(18(21)22-2)15-8-3-4-9-19(15)16/h3-11H,1-2H3.
What are the key properties of methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate?
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate is sourced from PubChem (CID 54764304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).