1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone

C8H11NO — CID 89383387

IUPAC1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone
SMILESC=C1CCC(=C)N1C(C)=O
InChIInChI=1S/C8H11NO/c1-6-4-5-7(2)9(6)8(3)10/h1-2,4-5H2,3H3
InChIKeyNYPOWQKEAMMKIG-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.66
Rot. Bonds

About 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone

1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone (PubChem CID 89383387) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone
PubChem CID89383387
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone
SMILESC=C1CCC(=C)N1C(C)=O
InChIInChI=1S/C8H11NO/c1-6-4-5-7(2)9(6)8(3)10/h1-2,4-5H2,3H3
InChIKeyNYPOWQKEAMMKIG-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Methylidenepyrrolidin-1-yl)ethanone
CID 13774186
N,N-bis(but-1-en-2-yl)acetamide
CID 19688337
1-Tert-butyl-5-methylidenepyrrolidin-2-one
CID 59721529
5-Methylidene-1-propylpyrrolidin-2-one
CID 66707396
Ethane;1-methyl-5-methylidenepyrrolidin-2-one
CID 142832893
5-Methylidene-1-(2-methylpropanoyl)pyrrolidin-2-one
CID 147311611
1-Tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane
CID 167597515

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone (CID 89383387) is 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone is C=C1CCC(=C)N1C(C)=O.
What is the InChIKey of 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone?
The InChIKey is NYPOWQKEAMMKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-5-7(2)9(6)8(3)10/h1-2,4-5H2,3H3.
What are the key properties of 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone?
1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone has a molecular weight of 137.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylidenepyrrolidin-1-yl)ethanone is sourced from PubChem (CID 89383387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).