methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate

C20H20ClNO2 — CID 11131658

IUPACmethyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
SMILESCCCc1cc2ccc(C(=O)OC)cn2c1Cc1ccccc1Cl
InChIInChI=1S/C20H20ClNO2/c1-3-6-15-11-17-10-9-16(20(23)24-2)13-22(17)19(15)12-14-7-4-5-8-18(14)21/h4-5,7-11,13H,3,6,12H2,1-2H3
InChIKeyFOVKNIMGFRVFBV-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.92
Rot. Bonds5

About methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate

methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate (PubChem CID 11131658) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
PubChem CID11131658
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Namemethyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
SMILESCCCc1cc2ccc(C(=O)OC)cn2c1Cc1ccccc1Cl
InChIInChI=1S/C20H20ClNO2/c1-3-6-15-11-17-10-9-16(20(23)24-2)13-22(17)19(15)12-14-7-4-5-8-18(14)21/h4-5,7-11,13H,3,6,12H2,1-2H3
InChIKeyFOVKNIMGFRVFBV-UHFFFAOYSA-N
XLogP4.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate
CID 139765088
methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
CID 139765111
methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate
CID 139765095
methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate
CID 22627488
3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide
CID 139765109
methyl 1-[(2-chlorophenyl)methyl]-3-(2-ethoxyacetyl)-2-propylindole-6-carboxylate
CID 22627302
methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propylindole-6-carboxylate
CID 10137253
methyl 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propylindole-6-carboxylate
CID 22627428
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
methyl 2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359973
methyl 3-propylindolizine-2-carboxylate
CID 155255239
methane;methyl 2-propylbenzoate
CID 167647144

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate?
The IUPAC name of methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate (CID 11131658) is methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate.
What is the SMILES notation for methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate?
The canonical SMILES for methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate is CCCc1cc2ccc(C(=O)OC)cn2c1Cc1ccccc1Cl.
What is the InChIKey of methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate?
The InChIKey is FOVKNIMGFRVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-3-6-15-11-17-10-9-16(20(23)24-2)13-22(17)19(15)12-14-7-4-5-8-18(14)21/h4-5,7-11,13H,3,6,12H2,1-2H3.
What are the key properties of methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate?
methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate has a molecular weight of 341.84 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate is sourced from PubChem (CID 11131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).