methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate

C14H13NO3 — CID 24814270

IUPACmethyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
SMILESCOC(=O)c1c2n(c(=O)c3ccccc13)CCC2
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-9-5-2-3-6-10(9)13(16)15-8-4-7-11(12)15/h2-3,5-6H,4,7-8H2,1H3
InChIKeyBAFBCYYVLGUVJL-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.73
Rot. Bonds1

About methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate

methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate (PubChem CID 24814270) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
PubChem CID24814270
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
SMILESCOC(=O)c1c2n(c(=O)c3ccccc13)CCC2
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-9-5-2-3-6-10(9)13(16)15-8-4-7-11(12)15/h2-3,5-6H,4,7-8H2,1H3
InChIKeyBAFBCYYVLGUVJL-UHFFFAOYSA-N
XLogP1.73
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-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

dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 6-hydroxy-7-(2-methylprop-2-enyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 11543497
methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
CID 132525931
ethane;methyl 6-[(2-bromophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 145302341
methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 71733849
methyl 8-chloro-7-fluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
CID 14006773
methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate
CID 24814275
methyl 3-[(2-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080218
dimethyl 3-(6-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
CID 14623614
methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 10683917
methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate
CID 150983281
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate?
The IUPAC name of methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate (CID 24814270) is methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate.
What is the SMILES notation for methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate?
The canonical SMILES for methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate is COC(=O)c1c2n(c(=O)c3ccccc13)CCC2.
What is the InChIKey of methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate?
The InChIKey is BAFBCYYVLGUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)12-9-5-2-3-6-10(9)13(16)15-8-4-7-11(12)15/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate?
methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate is sourced from PubChem (CID 24814270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).