2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one

C12H21NO — CID 131965671

IUPAC2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=CCC(C)(CC)C(=O)N1CCCC1
InChIInChI=1S/C12H21NO/c1-4-8-12(3,5-2)11(14)13-9-6-7-10-13/h4H,1,5-10H2,2-3H3
InChIKeyFBPBJEQLGWCLNM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds4

About 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one

2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one (PubChem CID 131965671) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one
PubChem CID131965671
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=CCC(C)(CC)C(=O)N1CCCC1
InChIInChI=1S/C12H21NO/c1-4-8-12(3,5-2)11(14)13-9-6-7-10-13/h4H,1,5-10H2,2-3H3
InChIKeyFBPBJEQLGWCLNM-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
The IUPAC name of 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one (CID 131965671) is 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
The canonical SMILES for 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one is C=CCC(C)(CC)C(=O)N1CCCC1.
What is the InChIKey of 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
The InChIKey is FBPBJEQLGWCLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-8-12(3,5-2)11(14)13-9-6-7-10-13/h4H,1,5-10H2,2-3H3.
What are the key properties of 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-pyrrolidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 131965671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).