1-tert-butyl-4-methylidenepyrrolidin-2-one

C9H15NO — CID 138969437

IUPAC1-tert-butyl-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C9H15NO/c1-7-5-8(11)10(6-7)9(2,3)4/h1,5-6H2,2-4H3
InChIKeyOMUKRUBSOOSIQH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds

About 1-tert-butyl-4-methylidenepyrrolidin-2-one

1-tert-butyl-4-methylidenepyrrolidin-2-one (PubChem CID 138969437) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-tert-butyl-4-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methylidenepyrrolidin-2-one
PubChem CID138969437
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-tert-butyl-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C9H15NO/c1-7-5-8(11)10(6-7)9(2,3)4/h1,5-6H2,2-4H3
InChIKeyOMUKRUBSOOSIQH-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
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-tert-butyl-4-methylidenepyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-methylidenepyrrolidin-2-one (CID 138969437) is 1-tert-butyl-4-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-methylidenepyrrolidin-2-one is C=C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-methylidenepyrrolidin-2-one?
The InChIKey is OMUKRUBSOOSIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-8(11)10(6-7)9(2,3)4/h1,5-6H2,2-4H3.
What are the key properties of 1-tert-butyl-4-methylidenepyrrolidin-2-one?
1-tert-butyl-4-methylidenepyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylidenepyrrolidin-2-one is sourced from PubChem (CID 138969437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).