(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone

C14H15NO — CID 83703819

IUPAC(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccn2C)cc1C
InChIInChI=1S/C14H15NO/c1-10-6-7-12(9-11(10)2)14(16)13-5-4-8-15(13)3/h4-9H,1-3H3
InChIKeyJJEBGWYKDAACHS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.87
Rot. Bonds2

About (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone

(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 83703819) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
PubChem CID83703819
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccn2C)cc1C
InChIInChI=1S/C14H15NO/c1-10-6-7-12(9-11(10)2)14(16)13-5-4-8-15(13)3/h4-9H,1-3H3
InChIKeyJJEBGWYKDAACHS-UHFFFAOYSA-N
XLogP2.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 140996356
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
2-acetamidoacetic acid;(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 86740698
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
2,2-dichloro-1-(1-methylpyrrol-2-yl)ethanone
CID 13217321
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 58417448
(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone
CID 107976703
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone (CID 83703819) is (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone is Cc1ccc(C(=O)c2cccn2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is JJEBGWYKDAACHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-6-7-12(9-11(10)2)14(16)13-5-4-8-15(13)3/h4-9H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 83703819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).