ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine

C11H23NO — CID 164921992

IUPACethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine
SMILESC=CC1CCCN1CCOC.CC
InChIInChI=1S/C9H17NO.C2H6/c1-3-9-5-4-6-10(9)7-8-11-2;1-2/h3,9H,1,4-8H2,2H3;1-2H3
InChIKeySPPPYHOEAXYFJJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.31
Rot. Bonds4

About ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine

ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine (PubChem CID 164921992) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine
PubChem CID164921992
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine
SMILESC=CC1CCCN1CCOC.CC
InChIInChI=1S/C9H17NO.C2H6/c1-3-9-5-4-6-10(9)7-8-11-2;1-2/h3,9H,1,4-8H2,2H3;1-2H3
InChIKeySPPPYHOEAXYFJJ-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-ethenyl-1-(2-methoxyethyl)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 ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine (CID 164921992) is ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine is C=CC1CCCN1CCOC.CC.
What is the InChIKey of ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is SPPPYHOEAXYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-3-9-5-4-6-10(9)7-8-11-2;1-2/h3,9H,1,4-8H2,2H3;1-2H3.
What are the key properties of ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine?
ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 164921992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).