3-methylidene-4-propan-2-ylidenepyrrolidine

C8H13N — CID 126626439

IUPAC3-methylidene-4-propan-2-ylidenepyrrolidine
SMILESC=C1CNCC1=C(C)C
InChIInChI=1S/C8H13N/c1-6(2)8-5-9-4-7(8)3/h9H,3-5H2,1-2H3
InChIKeyGPCSGAJGOQPAAM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds

About 3-methylidene-4-propan-2-ylidenepyrrolidine

3-methylidene-4-propan-2-ylidenepyrrolidine (PubChem CID 126626439) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-methylidene-4-propan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name3-methylidene-4-propan-2-ylidenepyrrolidine
PubChem CID126626439
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-methylidene-4-propan-2-ylidenepyrrolidine
SMILESC=C1CNCC1=C(C)C
InChIInChI=1S/C8H13N/c1-6(2)8-5-9-4-7(8)3/h9H,3-5H2,1-2H3
InChIKeyGPCSGAJGOQPAAM-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methylidene-4-propan-2-ylidenepyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Propylidenepyrrolidine
CID 79875565
3,4-Dimethylenepyrrolidine
CID 21835032
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
CID 143402727
(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 143823865
(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidin-1-ium
CID 145417314
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium
CID 145417326
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 145417327
(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
CID 139250118
(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine
CID 145417315
3-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-4-methyl-2,5-dihydro-1H-pyrrole
CID 165411675
N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine
CID 58760430

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-propan-2-ylidenepyrrolidine?
The IUPAC name of 3-methylidene-4-propan-2-ylidenepyrrolidine (CID 126626439) is 3-methylidene-4-propan-2-ylidenepyrrolidine.
What is the SMILES notation for 3-methylidene-4-propan-2-ylidenepyrrolidine?
The canonical SMILES for 3-methylidene-4-propan-2-ylidenepyrrolidine is C=C1CNCC1=C(C)C.
What is the InChIKey of 3-methylidene-4-propan-2-ylidenepyrrolidine?
The InChIKey is GPCSGAJGOQPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-5-9-4-7(8)3/h9H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-4-propan-2-ylidenepyrrolidine?
3-methylidene-4-propan-2-ylidenepyrrolidine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-propan-2-ylidenepyrrolidine is sourced from PubChem (CID 126626439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).