methyl 3-methyl-5-oxopyrrolizine-2-carboxylate

C10H9NO3 — CID 11401264

IUPACmethyl 3-methyl-5-oxopyrrolizine-2-carboxylate
SMILESCOC(=O)c1cc2n(c1C)C(=O)C=C2
InChIInChI=1S/C10H9NO3/c1-6-8(10(13)14-2)5-7-3-4-9(12)11(6)7/h3-5H,1-2H3
InChIKeyADZJMTHBALXNAI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.25
Rot. Bonds1

About methyl 3-methyl-5-oxopyrrolizine-2-carboxylate

methyl 3-methyl-5-oxopyrrolizine-2-carboxylate (PubChem CID 11401264) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-methyl-5-oxopyrrolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-oxopyrrolizine-2-carboxylate
PubChem CID11401264
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 3-methyl-5-oxopyrrolizine-2-carboxylate
SMILESCOC(=O)c1cc2n(c1C)C(=O)C=C2
InChIInChI=1S/C10H9NO3/c1-6-8(10(13)14-2)5-7-3-4-9(12)11(6)7/h3-5H,1-2H3
InChIKeyADZJMTHBALXNAI-UHFFFAOYSA-N
XLogP1.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
CID 159349463
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
methyl 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 102252856
methyl 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxybenzoate
CID 2808808
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
dimethyl 2,5-ditert-butylbenzene-1,4-dicarboxylate
CID 11833728
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
dodecamethyl tridecacyclo[22.6.6.64,11.614,21.02,23.03,12.05,10.013,22.015,20.025,30.031,36.037,42.043,48]octatetraconta-2,5,7,9,12,15,17,19,22,25,27,29,31,33,35,37,39,41,43,45,47-henicosaene-7,8,17,18,27,28,33,34,39,40,45,46-dodecacarboxylate
CID 71659778

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-oxopyrrolizine-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-oxopyrrolizine-2-carboxylate (CID 11401264) is methyl 3-methyl-5-oxopyrrolizine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-oxopyrrolizine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-oxopyrrolizine-2-carboxylate is COC(=O)c1cc2n(c1C)C(=O)C=C2.
What is the InChIKey of methyl 3-methyl-5-oxopyrrolizine-2-carboxylate?
The InChIKey is ADZJMTHBALXNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-8(10(13)14-2)5-7-3-4-9(12)11(6)7/h3-5H,1-2H3.
What are the key properties of methyl 3-methyl-5-oxopyrrolizine-2-carboxylate?
methyl 3-methyl-5-oxopyrrolizine-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-oxopyrrolizine-2-carboxylate is sourced from PubChem (CID 11401264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).