(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine

C14H25N — CID 134975615

IUPAC(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CC[C@@H]1CCCN1CC=C(C)C
InChIInChI=1S/C14H25N/c1-12(2)7-8-14-6-5-10-15(14)11-9-13(3)4/h7,9,14H,5-6,8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyLQSXNDOFJFOYPG-AWEZNQCLSA-N
MW207.36 g/mol
LogP3.77
Rot. Bonds4

About (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine

(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine (PubChem CID 134975615) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine
PubChem CID134975615
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CC[C@@H]1CCCN1CC=C(C)C
InChIInChI=1S/C14H25N/c1-12(2)7-8-14-6-5-10-15(14)11-9-13(3)4/h7,9,14H,5-6,8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyLQSXNDOFJFOYPG-AWEZNQCLSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-1,2-bis(3-methylbut-2-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 (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine?
The IUPAC name of (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine (CID 134975615) is (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine.
What is the SMILES notation for (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine?
The canonical SMILES for (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine is CC(C)=CC[C@@H]1CCCN1CC=C(C)C.
What is the InChIKey of (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine?
The InChIKey is LQSXNDOFJFOYPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)7-8-14-6-5-10-15(14)11-9-13(3)4/h7,9,14H,5-6,8,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine?
(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine is sourced from PubChem (CID 134975615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).