ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C11H17NO3 — CID 118132079

IUPACethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCC2(C(=O)OCC)CC(O)CN12
InChIInChI=1S/C11H17NO3/c1-3-15-10(14)11-5-4-8(2)12(11)7-9(13)6-11/h9,13H,2-7H2,1H3
InChIKeyXNORRVPYOHYNEK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.66
Rot. Bonds2

About ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 118132079) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID118132079
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCC2(C(=O)OCC)CC(O)CN12
InChIInChI=1S/C11H17NO3/c1-3-15-10(14)11-5-4-8(2)12(11)7-9(13)6-11/h9,13H,2-7H2,1H3
InChIKeyXNORRVPYOHYNEK-UHFFFAOYSA-N
XLogP0.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132078
ethyl 3,6-dimethylidene-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132077
ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 170367901
ethyl (2S,8R)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761476
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
ethyl 5-(1-oxopropan-2-ylidene)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174214019
methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174267731
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
ethyl 1-(bromomethyl)-4-methylidenecyclohexane-1-carboxylate
CID 10015501
diethyl 1,2-dimethyl-4-methylidenepyrrolidine-3,3-dicarboxylate
CID 15429881
2-O-ethyl 1-O-methyl (2S,4R)-4-hydroxy-2-(2-methylpropanoyl)pyrrolidine-1,2-dicarboxylate
CID 71520157
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 118132079) is ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CCC2(C(=O)OCC)CC(O)CN12.
What is the InChIKey of ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is XNORRVPYOHYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-10(14)11-5-4-8(2)12(11)7-9(13)6-11/h9,13H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 118132079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).