methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate

C12H21NO2 — CID 117267339

IUPACmethyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate
SMILESCOC(=O)C/C=C\C1CCN(C(C)C)C1
InChIInChI=1S/C12H21NO2/c1-10(2)13-8-7-11(9-13)5-4-6-12(14)15-3/h4-5,10-11H,6-9H2,1-3H3/b5-4-
InChIKeyAOSVWFYVZQMPRW-PLNGDYQASA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds4

About methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate

methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate (PubChem CID 117267339) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate
PubChem CID117267339
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate
SMILESCOC(=O)C/C=C\C1CCN(C(C)C)C1
InChIInChI=1S/C12H21NO2/c1-10(2)13-8-7-11(9-13)5-4-6-12(14)15-3/h4-5,10-11H,6-9H2,1-3H3/b5-4-
InChIKeyAOSVWFYVZQMPRW-PLNGDYQASA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate 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 (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate?
The IUPAC name of methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate (CID 117267339) is methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate.
What is the SMILES notation for methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate?
The canonical SMILES for methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate is COC(=O)C/C=C\C1CCN(C(C)C)C1.
What is the InChIKey of methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate?
The InChIKey is AOSVWFYVZQMPRW-PLNGDYQASA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)13-8-7-11(9-13)5-4-6-12(14)15-3/h4-5,10-11H,6-9H2,1-3H3/b5-4-.
What are the key properties of methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate?
methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate has a molecular weight of 211.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate is sourced from PubChem (CID 117267339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).