2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine

C15H25N — CID 58193792

IUPAC2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1(CC(=C)C)CC(=C)C
InChIInChI=1S/C15H25N/c1-6-9-16-10-7-8-15(16,11-13(2)3)12-14(4)5/h6H,1-2,4,7-12H2,3,5H3
InChIKeyKBBZNSYRVIIAHR-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.94
Rot. Bonds6

About 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine

2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine (PubChem CID 58193792) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine
PubChem CID58193792
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1(CC(=C)C)CC(=C)C
InChIInChI=1S/C15H25N/c1-6-9-16-10-7-8-15(16,11-13(2)3)12-14(4)5/h6H,1-2,4,7-12H2,3,5H3
InChIKeyKBBZNSYRVIIAHR-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine?
The IUPAC name of 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine (CID 58193792) is 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine is C=CCN1CCCC1(CC(=C)C)CC(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine?
The InChIKey is KBBZNSYRVIIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-9-16-10-7-8-15(16,11-13(2)3)12-14(4)5/h6H,1-2,4,7-12H2,3,5H3.
What are the key properties of 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine?
2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine has a molecular weight of 219.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 58193792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).