5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one

C17H27NO — CID 86060857

IUPAC5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CCC1(CC(=C)C)CC(=C)C
InChIInChI=1S/C17H27NO/c1-6-7-8-11-18-16(19)9-10-17(18,12-14(2)3)13-15(4)5/h6H,1-2,4,7-13H2,3,5H3
InChIKeyIWDXNAHENMDABT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.25
Rot. Bonds8

About 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one

5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one (PubChem CID 86060857) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one
PubChem CID86060857
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CCC1(CC(=C)C)CC(=C)C
InChIInChI=1S/C17H27NO/c1-6-7-8-11-18-16(19)9-10-17(18,12-14(2)3)13-15(4)5/h6H,1-2,4,7-13H2,3,5H3
InChIKeyIWDXNAHENMDABT-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one (CID 86060857) is 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one is C=CCCCN1C(=O)CCC1(CC(=C)C)CC(=C)C.
What is the InChIKey of 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is IWDXNAHENMDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-7-8-11-18-16(19)9-10-17(18,12-14(2)3)13-15(4)5/h6H,1-2,4,7-13H2,3,5H3.
What are the key properties of 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one?
5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 261.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 86060857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).