2,2-dimethyl-5-methylidenepyrrolidin-3-one

C7H11NO — CID 159841079

IUPAC2,2-dimethyl-5-methylidenepyrrolidin-3-one
SMILESC=C1CC(=O)C(C)(C)N1
InChIInChI=1S/C7H11NO/c1-5-4-6(9)7(2,3)8-5/h8H,1,4H2,2-3H3
InChIKeyPVJVOKFUFODLMO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About 2,2-dimethyl-5-methylidenepyrrolidin-3-one

2,2-dimethyl-5-methylidenepyrrolidin-3-one (PubChem CID 159841079) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylidenepyrrolidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-methylidenepyrrolidin-3-one
PubChem CID159841079
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,2-dimethyl-5-methylidenepyrrolidin-3-one
SMILESC=C1CC(=O)C(C)(C)N1
InChIInChI=1S/C7H11NO/c1-5-4-6(9)7(2,3)8-5/h8H,1,4H2,2-3H3
InChIKeyPVJVOKFUFODLMO-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethylpyrrolidine-2,4-dione
CID 13346709
2,2,3,3-tetramethyl-4-methylidenecyclopentan-1-one
CID 126682242
6,6-dimethyl-5-methylidenepiperazin-2-one
CID 89200658
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
5-cyclopropyl-7-fluoro-2,2-dimethyl-1,4-dihydroquinolin-3-one
CID 167557724
2,2-dimethyl-3-methylidenecyclopentan-1-one
CID 130031210
3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione
CID 59956973
2-methylidenecyclopropan-1-one
CID 19064098
4-ethyl-6-methylidene-3H-pyridin-2-one
CID 134558144
3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
CID 54194765
2,2-dimethyl-1,3-oxazinane-4,6-dione
CID 154006806
2,2-dimethyl-6-methylidenepiperazine;molecular hydrogen
CID 171086633

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylidenepyrrolidin-3-one?
The IUPAC name of 2,2-dimethyl-5-methylidenepyrrolidin-3-one (CID 159841079) is 2,2-dimethyl-5-methylidenepyrrolidin-3-one.
What is the SMILES notation for 2,2-dimethyl-5-methylidenepyrrolidin-3-one?
The canonical SMILES for 2,2-dimethyl-5-methylidenepyrrolidin-3-one is C=C1CC(=O)C(C)(C)N1.
What is the InChIKey of 2,2-dimethyl-5-methylidenepyrrolidin-3-one?
The InChIKey is PVJVOKFUFODLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(9)7(2,3)8-5/h8H,1,4H2,2-3H3.
What are the key properties of 2,2-dimethyl-5-methylidenepyrrolidin-3-one?
2,2-dimethyl-5-methylidenepyrrolidin-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylidenepyrrolidin-3-one is sourced from PubChem (CID 159841079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).