1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one

C15H25NO — CID 139438344

IUPAC1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1CC(=C)C(C)(C)CCCC
InChIInChI=1S/C15H25NO/c1-6-7-10-15(4,5)12(2)11-16-13(3)8-9-14(16)17/h2-3,6-11H2,1,4-5H3
InChIKeyCVYUTUOOQQUKHD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.90
Rot. Bonds6

About 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one

1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one (PubChem CID 139438344) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one
PubChem CID139438344
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1CC(=C)C(C)(C)CCCC
InChIInChI=1S/C15H25NO/c1-6-7-10-15(4,5)12(2)11-16-13(3)8-9-14(16)17/h2-3,6-11H2,1,4-5H3
InChIKeyCVYUTUOOQQUKHD-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.90
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 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one (CID 139438344) is 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one is C=C1CCC(=O)N1CC(=C)C(C)(C)CCCC.
What is the InChIKey of 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is CVYUTUOOQQUKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-7-10-15(4,5)12(2)11-16-13(3)8-9-14(16)17/h2-3,6-11H2,1,4-5H3.
What are the key properties of 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one?
1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 139438344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).