1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone

C10H17NO — CID 14248785

IUPAC1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C(C)C(C)=C(C)C1C
InChIInChI=1S/C10H17NO/c1-6-7(2)9(4)11(8(6)3)10(5)12/h8-9H,1-5H3
InChIKeyGEFYWFCYXBGFGS-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds

About 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone

1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone (PubChem CID 14248785) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone
PubChem CID14248785
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C(C)C(C)=C(C)C1C
InChIInChI=1S/C10H17NO/c1-6-7(2)9(4)11(8(6)3)10(5)12/h8-9H,1-5H3
InChIKeyGEFYWFCYXBGFGS-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
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 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone (CID 14248785) is 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone is CC(=O)N1C(C)C(C)=C(C)C1C.
What is the InChIKey of 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone?
The InChIKey is GEFYWFCYXBGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-7(2)9(4)11(8(6)3)10(5)12/h8-9H,1-5H3.
What are the key properties of 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone?
1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 14248785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).