3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one

C14H25NO — CID 130413118

IUPAC3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(C(C)(C)C)C(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C14H25NO/c1-9-10(13(2,3)4)11(14(5,6)7)12(16)15(9)8/h10-11H,1H2,2-8H3
InChIKeyAQKIUOWMGOQCJT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.30
Rot. Bonds

About 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one

3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one (PubChem CID 130413118) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
PubChem CID130413118
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(C(C)(C)C)C(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C14H25NO/c1-9-10(13(2,3)4)11(14(5,6)7)12(16)15(9)8/h10-11H,1H2,2-8H3
InChIKeyAQKIUOWMGOQCJT-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
CID 166916743
3-Tert-butyl-3-methyl-5-methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 159689835
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,3-Ditert-butyl-5-methylidenepyrrolidin-2-one
CID 59096680
3-Ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one
CID 59547379
1,3,4,4,5,5-Hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one
CID 59547384
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
1,4,4-trimethyl-3a,4,5,6-tetrahydro-1H-indol-2(3H)-one
CID 90388765
5-Methylidene-1,3-di(propan-2-yl)pyrrolidin-2-one
CID 117860930
1-Cyclohexyl-3,4-dimethyl-5-methylidenepyrrolidin-2-one
CID 117980006
1-Methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 118857753
1-Methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 126589429

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one (CID 130413118) is 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one is C=C1C(C(C)(C)C)C(C(C)(C)C)C(=O)N1C.
What is the InChIKey of 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one?
The InChIKey is AQKIUOWMGOQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9-10(13(2,3)4)11(14(5,6)7)12(16)15(9)8/h10-11H,1H2,2-8H3.
What are the key properties of 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one?
3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 130413118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).