methyl 3-chloroindolizine-1-carboxylate

C10H8ClNO2 — CID 102287159

IUPACmethyl 3-chloroindolizine-1-carboxylate
SMILESCOC(=O)c1cc(Cl)n2ccccc12
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)7-6-9(11)12-5-3-2-4-8(7)12/h2-6H,1H3
InChIKeyAJWMQVBHHYLAQZ-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.38
Rot. Bonds1

About methyl 3-chloroindolizine-1-carboxylate

methyl 3-chloroindolizine-1-carboxylate (PubChem CID 102287159) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is methyl 3-chloroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloroindolizine-1-carboxylate
PubChem CID102287159
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Namemethyl 3-chloroindolizine-1-carboxylate
SMILESCOC(=O)c1cc(Cl)n2ccccc12
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)7-6-9(11)12-5-3-2-4-8(7)12/h2-6H,1H3
InChIKeyAJWMQVBHHYLAQZ-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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Related Compounds

tert-butyl 3-chloroindolizine-1-carboxylate
CID 141195530
methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287162
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304
methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 101390066
methyl 5-methylindolizine-8-carboxylate
CID 134433925
methyl 3-[1-(4-tert-butylphenyl)ethenyl]indolizine-1-carboxylate
CID 102172690
methyl 5-formylindolizine-8-carboxylate
CID 86685513
methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate
CID 21245060
methyl 1-bromo-5-chloroindolizine-2-carboxylate
CID 171530971
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-imino-3-(4-methylphenyl)sulfonylquinolizine-1-carboxylate
CID 44606894

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloroindolizine-1-carboxylate?
The IUPAC name of methyl 3-chloroindolizine-1-carboxylate (CID 102287159) is methyl 3-chloroindolizine-1-carboxylate.
What is the SMILES notation for methyl 3-chloroindolizine-1-carboxylate?
The canonical SMILES for methyl 3-chloroindolizine-1-carboxylate is COC(=O)c1cc(Cl)n2ccccc12.
What is the InChIKey of methyl 3-chloroindolizine-1-carboxylate?
The InChIKey is AJWMQVBHHYLAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-10(13)7-6-9(11)12-5-3-2-4-8(7)12/h2-6H,1H3.
What are the key properties of methyl 3-chloroindolizine-1-carboxylate?
methyl 3-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 3-chloroindolizine-1-carboxylate is sourced from PubChem (CID 102287159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).