(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone

C16H19NO — CID 16664938

IUPAC(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone
SMILESCCc1cn(C(=O)c2ccc(C)cc2)cc1CC
InChIInChI=1S/C16H19NO/c1-4-13-10-17(11-14(13)5-2)16(18)15-8-6-12(3)7-9-15/h6-11H,4-5H2,1-3H3
InChIKeyQDCBGAUKNPMMAP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.61
Rot. Bonds3

About (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone

(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone (PubChem CID 16664938) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone
PubChem CID16664938
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone
SMILESCCc1cn(C(=O)c2ccc(C)cc2)cc1CC
InChIInChI=1S/C16H19NO/c1-4-13-10-17(11-14(13)5-2)16(18)15-8-6-12(3)7-9-15/h6-11H,4-5H2,1-3H3
InChIKeyQDCBGAUKNPMMAP-UHFFFAOYSA-N
XLogP3.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone 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

(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone
CID 16664749
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one
CID 4621102
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
3-hydroxy-1-(4-methylphenyl)propane-1,2-dione
CID 126455188
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
N'-butyl-4-methylbenzohydrazide
CID 118418346
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
hexane;methyl 4-methylbenzoate
CID 143689226

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone (CID 16664938) is (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone is CCc1cn(C(=O)c2ccc(C)cc2)cc1CC.
What is the InChIKey of (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is QDCBGAUKNPMMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-13-10-17(11-14(13)5-2)16(18)15-8-6-12(3)7-9-15/h6-11H,4-5H2,1-3H3.
What are the key properties of (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone?
(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 241.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 16664938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).