methyl 7-chloroindolizine-1-carboxylate

C10H8ClNO2 — CID 119082954

IUPACmethyl 7-chloroindolizine-1-carboxylate
SMILESCOC(=O)c1ccn2ccc(Cl)cc12
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)8-3-5-12-4-2-7(11)6-9(8)12/h2-6H,1H3
InChIKeyCCLOMLNIJBUTKS-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.38
Rot. Bonds1

About methyl 7-chloroindolizine-1-carboxylate

methyl 7-chloroindolizine-1-carboxylate (PubChem CID 119082954) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is methyl 7-chloroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloroindolizine-1-carboxylate
PubChem CID119082954
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Namemethyl 7-chloroindolizine-1-carboxylate
SMILESCOC(=O)c1ccn2ccc(Cl)cc12
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)8-3-5-12-4-2-7(11)6-9(8)12/h2-6H,1H3
InChIKeyCCLOMLNIJBUTKS-UHFFFAOYSA-N
XLogP2.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloroindolizine-1-carboxylate?
The IUPAC name of methyl 7-chloroindolizine-1-carboxylate (CID 119082954) is methyl 7-chloroindolizine-1-carboxylate.
What is the SMILES notation for methyl 7-chloroindolizine-1-carboxylate?
The canonical SMILES for methyl 7-chloroindolizine-1-carboxylate is COC(=O)c1ccn2ccc(Cl)cc12.
What is the InChIKey of methyl 7-chloroindolizine-1-carboxylate?
The InChIKey is CCLOMLNIJBUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-10(13)8-3-5-12-4-2-7(11)6-9(8)12/h2-6H,1H3.
What are the key properties of methyl 7-chloroindolizine-1-carboxylate?
methyl 7-chloroindolizine-1-carboxylate has a molecular weight of 209.63 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloroindolizine-1-carboxylate is sourced from PubChem (CID 119082954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).