3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one

C14H25NO — CID 134576796

IUPAC3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-10-8-11(14(5,6)7)12(16)15(10)9-13(2,3)4/h11H,1,8-9H2,2-7H3
InChIKeyAQODHQDNNREVNI-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.44
Rot. Bonds1

About 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one

3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one (PubChem CID 134576796) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one
PubChem CID134576796
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-10-8-11(14(5,6)7)12(16)15(10)9-13(2,3)4/h11H,1,8-9H2,2-7H3
InChIKeyAQODHQDNNREVNI-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1-(2,2-dimethylpropyl)-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-Methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 86255489
3-Tert-butyl-3-methyl-5-methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 159689835
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
2-Methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
CID 20704196
N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide
CID 54520427
1-(5-Methylcyclohexen-1-yl)pyrrolidin-2-one
CID 54531759
1-[3-[2-(Dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
CID 58493122
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,3-Ditert-butyl-5-methylidenepyrrolidin-2-one
CID 59096680
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
1,3,4-Trimethyl-5-methylidenepyrrolidin-2-one
CID 59888498
1-Hex-1-en-2-ylpyrrolidin-2-one
CID 69973756

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one (CID 134576796) is 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one is C=C1CC(C(C)(C)C)C(=O)N1CC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is AQODHQDNNREVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-8-11(14(5,6)7)12(16)15(10)9-13(2,3)4/h11H,1,8-9H2,2-7H3.
What are the key properties of 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one?
3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 134576796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).