ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine

C13H25N — CID 90688558

IUPACethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine
SMILESC=C=C1CCN(CC)C1=C.CC.CC
InChIInChI=1S/C9H13N.2C2H6/c1-4-9-6-7-10(5-2)8(9)3;2*1-2/h1,3,5-7H2,2H3;2*1-2H3
InChIKeyUNHYHABYIIUMPJ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.99
Rot. Bonds1

About ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine

ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine (PubChem CID 90688558) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Nameethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine
PubChem CID90688558
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine
SMILESC=C=C1CCN(CC)C1=C.CC.CC
InChIInChI=1S/C9H13N.2C2H6/c1-4-9-6-7-10(5-2)8(9)3;2*1-2/h1,3,5-7H2,2H3;2*1-2H3
InChIKeyUNHYHABYIIUMPJ-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine 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;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine?
The IUPAC name of ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine (CID 90688558) is ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine.
What is the SMILES notation for ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine?
The canonical SMILES for ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine is C=C=C1CCN(CC)C1=C.CC.CC.
What is the InChIKey of ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine?
The InChIKey is UNHYHABYIIUMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C2H6/c1-4-9-6-7-10(5-2)8(9)3;2*1-2/h1,3,5-7H2,2H3;2*1-2H3.
What are the key properties of ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine?
ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenylidene-1-ethyl-2-methylidenepyrrolidine is sourced from PubChem (CID 90688558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).