(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone

C13H13NO — CID 63748897

IUPAC(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCc1cccc(C(=O)c2ccc[nH]2)c1C
InChIInChI=1S/C13H13NO/c1-9-5-3-6-11(10(9)2)13(15)12-7-4-8-14-12/h3-8,14H,1-2H3
InChIKeyNYGZSOTZROUFLD-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.86
Rot. Bonds2

About (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone

(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 63748897) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID63748897
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCc1cccc(C(=O)c2ccc[nH]2)c1C
InChIInChI=1S/C13H13NO/c1-9-5-3-6-11(10(9)2)13(15)12-7-4-8-14-12/h3-8,14H,1-2H3
InChIKeyNYGZSOTZROUFLD-UHFFFAOYSA-N
XLogP2.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
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CID 107949876
(2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanone
CID 63750517
(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone
CID 145233526
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128
(2-ethoxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 63749253
2,3-dimethylbenzoyl iodide
CID 87941796
2,3-dimethylbenzamide;ethane
CID 143389789
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone (CID 63748897) is (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone is Cc1cccc(C(=O)c2ccc[nH]2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is NYGZSOTZROUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-5-3-6-11(10(9)2)13(15)12-7-4-8-14-12/h3-8,14H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone?
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63748897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).