1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one

C13H23NO — CID 58032082

IUPAC1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
SMILESC=C(C(C)C)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C13H23NO/c1-9(2)11(5)13(10(3)4)14-8-6-7-12(14)15/h9-10,13H,5-8H2,1-4H3
InChIKeyZPMACFJPVZWBNT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds4

About 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one

1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one (PubChem CID 58032082) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
PubChem CID58032082
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
SMILESC=C(C(C)C)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C13H23NO/c1-9(2)11(5)13(10(3)4)14-8-6-7-12(14)15/h9-10,13H,5-8H2,1-4H3
InChIKeyZPMACFJPVZWBNT-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
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-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one (CID 58032082) is 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one is C=C(C(C)C)C(C(C)C)N1CCCC1=O.
What is the InChIKey of 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one?
The InChIKey is ZPMACFJPVZWBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)11(5)13(10(3)4)14-8-6-7-12(14)15/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one?
1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 58032082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).