5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one

C9H15NO — CID 139389114

IUPAC5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(C)(C)NC1=O
InChIInChI=1S/C9H15NO/c1-4-5-7-6-9(2,3)10-8(7)11/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyVEHFHCONXVNWOV-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one

5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one (PubChem CID 139389114) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one
PubChem CID139389114
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(C)(C)NC1=O
InChIInChI=1S/C9H15NO/c1-4-5-7-6-9(2,3)10-8(7)11/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyVEHFHCONXVNWOV-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one (CID 139389114) is 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one is C=CCC1CC(C)(C)NC1=O.
What is the InChIKey of 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is VEHFHCONXVNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-7-6-9(2,3)10-8(7)11/h4,7H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one?
5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 139389114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).