1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one

C10H15NO — CID 167684364

IUPAC1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CC(C)(C)C
InChIInChI=1S/C10H15NO/c1-8-5-6-9(12)11(8)7-10(2,3)4/h5-6H,1,7H2,2-4H3
InChIKeyVZRKEMCSYUWIGG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.94
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one

1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one (PubChem CID 167684364) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
PubChem CID167684364
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CC(C)(C)C
InChIInChI=1S/C10H15NO/c1-8-5-6-9(12)11(8)7-10(2,3)4/h5-6H,1,7H2,2-4H3
InChIKeyVZRKEMCSYUWIGG-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,4,4-tetramethylpentyl)pyrrole-2,5-dione
CID 123912604
N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
CID 91000242
1-(3-aminopropyl)-5-methylidenepyrrol-2-one
CID 145076519
1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
CID 91352575
1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one
CID 146510260
1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one
CID 160805563
N-(2,2-dimethylpropyl)-3-[4-[2-(2,5-dioxopyrrol-1-yl)acetyl]piperazin-1-yl]-3-oxopropanamide;N-(2,2-dimethylpropyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide;methane
CID 161295560
1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one
CID 144635972
1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
CID 134402025
N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 134401994
1-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 139522248
1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione
CID 121483270

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one (CID 167684364) is 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one?
The InChIKey is VZRKEMCSYUWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-5-6-9(12)11(8)7-10(2,3)4/h5-6H,1,7H2,2-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one?
1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 167684364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).