3-ethyl-5-methylidenepyrrolidin-2-one

C7H11NO — CID 123791700

IUPAC3-ethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(CC)C(=O)N1
InChIInChI=1S/C7H11NO/c1-3-6-4-5(2)8-7(6)9/h6H,2-4H2,1H3,(H,8,9)
InChIKeyCTOULGHIAFTMOI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.05
Rot. Bonds1

About 3-ethyl-5-methylidenepyrrolidin-2-one

3-ethyl-5-methylidenepyrrolidin-2-one (PubChem CID 123791700) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-5-methylidenepyrrolidin-2-one
PubChem CID123791700
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(CC)C(=O)N1
InChIInChI=1S/C7H11NO/c1-3-6-4-5(2)8-7(6)9/h6H,2-4H2,1H3,(H,8,9)
InChIKeyCTOULGHIAFTMOI-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 3-ethyl-5-methylidenepyrrolidin-2-one (CID 123791700) is 3-ethyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 3-ethyl-5-methylidenepyrrolidin-2-one is C=C1CC(CC)C(=O)N1.
What is the InChIKey of 3-ethyl-5-methylidenepyrrolidin-2-one?
The InChIKey is CTOULGHIAFTMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-4-5(2)8-7(6)9/h6H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-5-methylidenepyrrolidin-2-one?
3-ethyl-5-methylidenepyrrolidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 123791700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).