3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine

C11H21NO — CID 118333610

IUPAC3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine
SMILESCC(C)(C)OC/C=C/C1CCNC1
InChIInChI=1S/C11H21NO/c1-11(2,3)13-8-4-5-10-6-7-12-9-10/h4-5,10,12H,6-9H2,1-3H3/b5-4+
InChIKeyCTTFTPKQMCDNNH-SNAWJCMRSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds3

About 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine

3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine (PubChem CID 118333610) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine
PubChem CID118333610
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine
SMILESCC(C)(C)OC/C=C/C1CCNC1
InChIInChI=1S/C11H21NO/c1-11(2,3)13-8-4-5-10-6-7-12-9-10/h4-5,10,12H,6-9H2,1-3H3/b5-4+
InChIKeyCTTFTPKQMCDNNH-SNAWJCMRSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine 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 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine?
The IUPAC name of 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine (CID 118333610) is 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine.
What is the SMILES notation for 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine?
The canonical SMILES for 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine is CC(C)(C)OC/C=C/C1CCNC1.
What is the InChIKey of 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine?
The InChIKey is CTTFTPKQMCDNNH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)13-8-4-5-10-6-7-12-9-10/h4-5,10,12H,6-9H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine?
3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine is sourced from PubChem (CID 118333610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).