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

C10H17NO — CID 58983978

IUPAC1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone
SMILESCC(=O)N1C(C)(C)C=CC1(C)C
InChIInChI=1S/C10H17NO/c1-8(12)11-9(2,3)6-7-10(11,4)5/h6-7H,1-5H3
InChIKeyWAUJWQJCNGWLKC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds

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

1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone (PubChem CID 58983978) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone
PubChem CID58983978
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone
SMILESCC(=O)N1C(C)(C)C=CC1(C)C
InChIInChI=1S/C10H17NO/c1-8(12)11-9(2,3)6-7-10(11,4)5/h6-7H,1-5H3
InChIKeyWAUJWQJCNGWLKC-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'}

Analyze 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,3,5,5-Pentamethylpyrrol-1-yl)ethanone
CID 58838492
1-Tert-butyl-5,5-dimethylpyrrol-2-one
CID 117726852
1-Tert-butyl-5,5-dimethylpyrrol-2-one;ethane
CID 160801299
1-Acetyl-5,5-dimethyl-1H-pyrrol-2(5H)-one
CID 14960105
2-Chloro-1-(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yl)ethan-1-one
CID 45080975

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone (CID 58983978) is 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone is CC(=O)N1C(C)(C)C=CC1(C)C.
What is the InChIKey of 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone?
The InChIKey is WAUJWQJCNGWLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)11-9(2,3)6-7-10(11,4)5/h6-7H,1-5H3.
What are the key properties of 1-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone?
1-(2,2,5,5-tetramethylpyrrol-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-(2,2,5,5-tetramethylpyrrol-1-yl)ethanone is sourced from PubChem (CID 58983978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).