(2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine

C11H19NO — CID 174321688

IUPAC(2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine
SMILESC=CC[C@@H]1CC[C@H](C(=C)OC)N1C
InChIInChI=1S/C11H19NO/c1-5-6-10-7-8-11(12(10)3)9(2)13-4/h5,10-11H,1-2,6-8H2,3-4H3/t10-,11-/m1/s1
InChIKeyMIEWPVHFIRIKTQ-GHMZBOCLSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds4

About (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine

(2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine (PubChem CID 174321688) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine
PubChem CID174321688
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine
SMILESC=CC[C@@H]1CC[C@H](C(=C)OC)N1C
InChIInChI=1S/C11H19NO/c1-5-6-10-7-8-11(12(10)3)9(2)13-4/h5,10-11H,1-2,6-8H2,3-4H3/t10-,11-/m1/s1
InChIKeyMIEWPVHFIRIKTQ-GHMZBOCLSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine 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 (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine?
The IUPAC name of (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine (CID 174321688) is (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine.
What is the SMILES notation for (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine?
The canonical SMILES for (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine is C=CC[C@@H]1CC[C@H](C(=C)OC)N1C.
What is the InChIKey of (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine?
The InChIKey is MIEWPVHFIRIKTQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-10-7-8-11(12(10)3)9(2)13-4/h5,10-11H,1-2,6-8H2,3-4H3/t10-,11-/m1/s1.
What are the key properties of (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine?
(2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(1-methoxyethenyl)-1-methyl-5-prop-2-enylpyrrolidine is sourced from PubChem (CID 174321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).