methyl 2-(4-chlorophenyl)indolizine-1-carboxylate

C16H12ClNO2 — CID 122364002

IUPACmethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12
InChIInChI=1S/C16H12ClNO2/c1-20-16(19)15-13(11-5-7-12(17)8-6-11)10-18-9-3-2-4-14(15)18/h2-10H,1H3
InChIKeyDSAWDVATIQUCMY-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.05
Rot. Bonds2

About methyl 2-(4-chlorophenyl)indolizine-1-carboxylate

methyl 2-(4-chlorophenyl)indolizine-1-carboxylate (PubChem CID 122364002) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
PubChem CID122364002
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Namemethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12
InChIInChI=1S/C16H12ClNO2/c1-20-16(19)15-13(11-5-7-12(17)8-6-11)10-18-9-3-2-4-14(15)18/h2-10H,1H3
InChIKeyDSAWDVATIQUCMY-UHFFFAOYSA-N
XLogP4.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)indolizine-1-carboxylate (CID 122364002) is methyl 2-(4-chlorophenyl)indolizine-1-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)indolizine-1-carboxylate is COC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12.
What is the InChIKey of methyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
The InChIKey is DSAWDVATIQUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-16(19)15-13(11-5-7-12(17)8-6-11)10-18-9-3-2-4-14(15)18/h2-10H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
methyl 2-(4-chlorophenyl)indolizine-1-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)indolizine-1-carboxylate is sourced from PubChem (CID 122364002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).