methyl (2S)-5-methylidenepyrrolidine-2-carboxylate

C7H11NO2 — CID 138749631

IUPACmethyl (2S)-5-methylidenepyrrolidine-2-carboxylate
SMILESC=C1CC[C@@H](C(=O)OC)N1
InChIInChI=1S/C7H11NO2/c1-5-3-4-6(8-5)7(9)10-2/h6,8H,1,3-4H2,2H3/t6-/m0/s1
InChIKeyKGVIRAIEZKWOTM-LURJTMIESA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds1

About methyl (2S)-5-methylidenepyrrolidine-2-carboxylate

methyl (2S)-5-methylidenepyrrolidine-2-carboxylate (PubChem CID 138749631) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (2S)-5-methylidenepyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-5-methylidenepyrrolidine-2-carboxylate
PubChem CID138749631
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (2S)-5-methylidenepyrrolidine-2-carboxylate
SMILESC=C1CC[C@@H](C(=O)OC)N1
InChIInChI=1S/C7H11NO2/c1-5-3-4-6(8-5)7(9)10-2/h6,8H,1,3-4H2,2H3/t6-/m0/s1
InChIKeyKGVIRAIEZKWOTM-LURJTMIESA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-methylidenepyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-5-methylidenepyrrolidine-2-carboxylate (CID 138749631) is methyl (2S)-5-methylidenepyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-5-methylidenepyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-5-methylidenepyrrolidine-2-carboxylate is C=C1CC[C@@H](C(=O)OC)N1.
What is the InChIKey of methyl (2S)-5-methylidenepyrrolidine-2-carboxylate?
The InChIKey is KGVIRAIEZKWOTM-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-4-6(8-5)7(9)10-2/h6,8H,1,3-4H2,2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-5-methylidenepyrrolidine-2-carboxylate?
methyl (2S)-5-methylidenepyrrolidine-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-methylidenepyrrolidine-2-carboxylate is sourced from PubChem (CID 138749631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).