methyl 7-methoxy-2-methylindolizine-3-carboxylate

C12H13NO3 — CID 178115619

IUPACmethyl 7-methoxy-2-methylindolizine-3-carboxylate
SMILESCOC(=O)c1c(C)cc2cc(OC)ccn12
InChIInChI=1S/C12H13NO3/c1-8-6-9-7-10(15-2)4-5-13(9)11(8)12(14)16-3/h4-7H,1-3H3
InChIKeyNTQHLPDJOCQWRQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.04
Rot. Bonds2

About methyl 7-methoxy-2-methylindolizine-3-carboxylate

methyl 7-methoxy-2-methylindolizine-3-carboxylate (PubChem CID 178115619) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 7-methoxy-2-methylindolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-2-methylindolizine-3-carboxylate
PubChem CID178115619
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 7-methoxy-2-methylindolizine-3-carboxylate
SMILESCOC(=O)c1c(C)cc2cc(OC)ccn12
InChIInChI=1S/C12H13NO3/c1-8-6-9-7-10(15-2)4-5-13(9)11(8)12(14)16-3/h4-7H,1-3H3
InChIKeyNTQHLPDJOCQWRQ-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
5-methoxypyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69239446
methyl 3,5-dimethyl-1-(2-oxopropyl)pyrrole-2-carboxylate
CID 112710159
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate
CID 3309986
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate
CID 86129099
methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate
CID 112709807
methyl 2-amino-5-methoxybenzoate
CID 13052275
1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117254464
1-(3-methoxyphenyl)-3-methylpyrrole-2-carboxylic acid
CID 82390675

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-2-methylindolizine-3-carboxylate?
The IUPAC name of methyl 7-methoxy-2-methylindolizine-3-carboxylate (CID 178115619) is methyl 7-methoxy-2-methylindolizine-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-2-methylindolizine-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-2-methylindolizine-3-carboxylate is COC(=O)c1c(C)cc2cc(OC)ccn12.
What is the InChIKey of methyl 7-methoxy-2-methylindolizine-3-carboxylate?
The InChIKey is NTQHLPDJOCQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-6-9-7-10(15-2)4-5-13(9)11(8)12(14)16-3/h4-7H,1-3H3.
What are the key properties of methyl 7-methoxy-2-methylindolizine-3-carboxylate?
methyl 7-methoxy-2-methylindolizine-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-2-methylindolizine-3-carboxylate is sourced from PubChem (CID 178115619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).