methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C10H15NO3 — CID 174267731

IUPACmethyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CN2C[C@H](O)CC2(C(=O)OC)C1
InChIInChI=1S/C10H15NO3/c1-7-3-10(9(13)14-2)4-8(12)6-11(10)5-7/h8,12H,1,3-6H2,2H3/t8-,10?/m1/s1
InChIKeyFFBUXWIOTBNTTL-HNHGDDPOSA-N
MW197.23 g/mol
LogP-0.08
Rot. Bonds1

About methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate

methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 174267731) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID174267731
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CN2C[C@H](O)CC2(C(=O)OC)C1
InChIInChI=1S/C10H15NO3/c1-7-3-10(9(13)14-2)4-8(12)6-11(10)5-7/h8,12H,1,3-6H2,2H3/t8-,10?/m1/s1
InChIKeyFFBUXWIOTBNTTL-HNHGDDPOSA-N
XLogP-0.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 166095803
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 170677374
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
CID 144936847
ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 118132079
(2R,6R,8S)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170357066
(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170356923
ethyl 3,6-dimethylidene-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132077
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 174267731) is methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CN2C[C@H](O)CC2(C(=O)OC)C1.
What is the InChIKey of methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is FFBUXWIOTBNTTL-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-3-10(9(13)14-2)4-8(12)6-11(10)5-7/h8,12H,1,3-6H2,2H3/t8-,10?/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 197.23 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 174267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).