ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate

C11H15NO3 — CID 118132078

IUPACethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESC=C1CCC2(C(=O)OCC)CC(=O)CN12
InChIInChI=1S/C11H15NO3/c1-3-15-10(14)11-5-4-8(2)12(11)7-9(13)6-11/h2-7H2,1H3
InChIKeyNYFXARXJBMWLOV-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.87
Rot. Bonds2

About ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate

ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (PubChem CID 118132078) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
PubChem CID118132078
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESC=C1CCC2(C(=O)OCC)CC(=O)CN12
InChIInChI=1S/C11H15NO3/c1-3-15-10(14)11-5-4-8(2)12(11)7-9(13)6-11/h2-7H2,1H3
InChIKeyNYFXARXJBMWLOV-UHFFFAOYSA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,6-dimethylidene-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132077
ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 118132079
ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 170367901
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
ethyl (2S,8R)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761476
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
CID 163095762
ethyl 5-(1-oxopropan-2-ylidene)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174214019
ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
CID 154676193
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
ethyl 1-(bromomethyl)-4-methylidenecyclohexane-1-carboxylate
CID 10015501
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate (CID 118132078) is ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is C=C1CCC2(C(=O)OCC)CC(=O)CN12.
What is the InChIKey of ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
The InChIKey is NYFXARXJBMWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-10(14)11-5-4-8(2)12(11)7-9(13)6-11/h2-7H2,1H3.
What are the key properties of ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate?
ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 118132078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).