ethane;2-ethenyl-4-methoxypyrrolidine

C11H25NO — CID 168893701

IUPACethane;2-ethenyl-4-methoxypyrrolidine
SMILESC=CC1CC(OC)CN1.CC.CC
InChIInChI=1S/C7H13NO.2C2H6/c1-3-6-4-7(9-2)5-8-6;2*1-2/h3,6-8H,1,4-5H2,2H3;2*1-2H3
InChIKeyZEVMVQGDGMKEHQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.60
Rot. Bonds2

About ethane;2-ethenyl-4-methoxypyrrolidine

ethane;2-ethenyl-4-methoxypyrrolidine (PubChem CID 168893701) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;2-ethenyl-4-methoxypyrrolidine.

Molecular Properties

Compound Nameethane;2-ethenyl-4-methoxypyrrolidine
PubChem CID168893701
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;2-ethenyl-4-methoxypyrrolidine
SMILESC=CC1CC(OC)CN1.CC.CC
InChIInChI=1S/C7H13NO.2C2H6/c1-3-6-4-7(9-2)5-8-6;2*1-2/h3,6-8H,1,4-5H2,2H3;2*1-2H3
InChIKeyZEVMVQGDGMKEHQ-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-ethenyl-4-methoxypyrrolidine 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-4-methoxypyrrolidine?
The IUPAC name of ethane;2-ethenyl-4-methoxypyrrolidine (CID 168893701) is ethane;2-ethenyl-4-methoxypyrrolidine.
What is the SMILES notation for ethane;2-ethenyl-4-methoxypyrrolidine?
The canonical SMILES for ethane;2-ethenyl-4-methoxypyrrolidine is C=CC1CC(OC)CN1.CC.CC.
What is the InChIKey of ethane;2-ethenyl-4-methoxypyrrolidine?
The InChIKey is ZEVMVQGDGMKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2C2H6/c1-3-6-4-7(9-2)5-8-6;2*1-2/h3,6-8H,1,4-5H2,2H3;2*1-2H3.
What are the key properties of ethane;2-ethenyl-4-methoxypyrrolidine?
ethane;2-ethenyl-4-methoxypyrrolidine has a molecular weight of 187.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-methoxypyrrolidine is sourced from PubChem (CID 168893701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).