ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone

C15H19NO — CID 90696164

IUPACethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone
SMILESCC.[2H]c1c(C)c([2H])c(C(=O)c2ccc[nH]2)c([2H])c1C
InChIInChI=1S/C13H13NO.C2H6/c1-9-6-10(2)8-11(7-9)13(15)12-4-3-5-14-12;1-2/h3-8,14H,1-2H3;1-2H3/i6D,7D,8D;
InChIKeyGGOLGYDEOOWBKY-IMEMKZPBSA-N
MW232.34 g/mol
LogP3.89
Rot. Bonds2

About ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone

ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone (PubChem CID 90696164) has the molecular formula C15H19NO and a molecular weight of 232.34 g/mol. Its IUPAC name is ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Nameethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone
PubChem CID90696164
Molecular FormulaC15H19NO
Molecular Weight232.34 g/mol
Exact Mass232.17
IUPAC Nameethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone
SMILESCC.[2H]c1c(C)c([2H])c(C(=O)c2ccc[nH]2)c([2H])c1C
InChIInChI=1S/C13H13NO.C2H6/c1-9-6-10(2)8-11(7-9)13(15)12-4-3-5-14-12;1-2/h3-8,14H,1-2H3;1-2H3/i6D,7D,8D;
InChIKeyGGOLGYDEOOWBKY-IMEMKZPBSA-N
XLogP3.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)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-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
CID 63748897
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128
(2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanone
CID 63750517
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate
CID 3999225
(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130594883
(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130528741
(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82786984
(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82874621
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334

Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone?
The IUPAC name of ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone (CID 90696164) is ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone.
What is the SMILES notation for ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone?
The canonical SMILES for ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone is CC.[2H]c1c(C)c([2H])c(C(=O)c2ccc[nH]2)c([2H])c1C.
What is the InChIKey of ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone?
The InChIKey is GGOLGYDEOOWBKY-IMEMKZPBSA-N. The full InChI is InChI=1S/C13H13NO.C2H6/c1-9-6-10(2)8-11(7-9)13(15)12-4-3-5-14-12;1-2/h3-8,14H,1-2H3;1-2H3/i6D,7D,8D;.
What are the key properties of ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone?
ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone has a molecular weight of 232.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrrol-2-yl-(2,4,6-trideuterio-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 90696164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).