methyl (2S)-4-methylidenepyrrolidine-2-carboxylate

C7H11NO2 — CID 45089947

IUPACmethyl (2S)-4-methylidenepyrrolidine-2-carboxylate
SMILESC=C1CN[C@H](C(=O)OC)C1
InChIInChI=1S/C7H11NO2/c1-5-3-6(8-4-5)7(9)10-2/h6,8H,1,3-4H2,2H3/t6-/m0/s1
InChIKeyLJGDVVRRCYVQKF-LURJTMIESA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds1

About methyl (2S)-4-methylidenepyrrolidine-2-carboxylate

methyl (2S)-4-methylidenepyrrolidine-2-carboxylate (PubChem CID 45089947) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (2S)-4-methylidenepyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-methylidenepyrrolidine-2-carboxylate
PubChem CID45089947
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (2S)-4-methylidenepyrrolidine-2-carboxylate
SMILESC=C1CN[C@H](C(=O)OC)C1
InChIInChI=1S/C7H11NO2/c1-5-3-6(8-4-5)7(9)10-2/h6,8H,1,3-4H2,2H3/t6-/m0/s1
InChIKeyLJGDVVRRCYVQKF-LURJTMIESA-N
XLogP0.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyleneproline
CID 558375
4-methylene-L-proline
CID 152301
(s)-4-Methylenepyrrolidine-2-carboxylic acid hydrochloride
CID 45262144
(S)-Methyl 4-methylenepyrrolidine-2-carboxylate hcl
CID 118123598
4-Methylene-5-oxo-L-proline methyl ester
CID 10855700
Methyleneproline
CID 67246496
Ethyl 4-vinylpyrrolidine-2-carboxylate
CID 129748782
Methyl (S,E)-4-ethylidenepyrrolidine-2-carboxylate
CID 135031640
Methyl 4-((dimethylamino)methylene)-5-thioxo-2-pyrrolidinecarboxylate
CID 3005350
L-Proline, 4-(fluoromethylene)-, (Z)-(9CI)
CID 15735991
(S)-Methyl 4-(difluoromethylene)pyrrolidine-2-carboxylate
CID 45116139
(2S)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
CID 54444019

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate (CID 45089947) is methyl (2S)-4-methylidenepyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-methylidenepyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-methylidenepyrrolidine-2-carboxylate is C=C1CN[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate?
The InChIKey is LJGDVVRRCYVQKF-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-6(8-4-5)7(9)10-2/h6,8H,1,3-4H2,2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate?
methyl (2S)-4-methylidenepyrrolidine-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methylidenepyrrolidine-2-carboxylate is sourced from PubChem (CID 45089947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).