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

C7H12ClNO2 — CID 118123598

IUPACmethyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
SMILESC=C1CN[C@H](C(=O)OC)C1.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-5-3-6(8-4-5)7(9)10-2;/h6,8H,1,3-4H2,2H3;1H/t6-;/m0./s1
InChIKeyZJJKQHRENJKUJF-RGMNGODLSA-N
MW177.63 g/mol
LogP0.50
Rot. Bonds1

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

methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride (PubChem CID 118123598) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
PubChem CID118123598
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Namemethyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
SMILESC=C1CN[C@H](C(=O)OC)C1.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-5-3-6(8-4-5)7(9)10-2;/h6,8H,1,3-4H2,2H3;1H/t6-;/m0./s1
InChIKeyZJJKQHRENJKUJF-RGMNGODLSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride (CID 118123598) is methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride is C=C1CN[C@H](C(=O)OC)C1.Cl.
What is the InChIKey of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is ZJJKQHRENJKUJF-RGMNGODLSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-5-3-6(8-4-5)7(9)10-2;/h6,8H,1,3-4H2,2H3;1H/t6-;/m0./s1.
What are the key properties of methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
methyl (2S)-4-methylidenepyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.50, 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;hydrochloride is sourced from PubChem (CID 118123598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).