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

C14H15NO — CID 140996356

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

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

(2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 140996356) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
PubChem CID140996356
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccn2C)c(C)c1
InChIInChI=1S/C14H15NO/c1-10-6-7-12(11(2)9-10)14(16)13-5-4-8-15(13)3/h4-9H,1-3H3
InChIKeyBVMHMIUSEKNKTC-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

(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 83703819
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
2-acetamidoacetic acid;(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 86740698
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
(2,4-dimethylbenzoyl)-oxophosphanium
CID 151738944
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
1-methyl-N'-[2-(4-methylphenyl)-2-oxoacetyl]pyrrole-2-carbohydrazide
CID 86910142
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 17426087
2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
CID 5131635

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone (CID 140996356) is (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone is Cc1ccc(C(=O)c2cccn2C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is BVMHMIUSEKNKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-6-7-12(11(2)9-10)14(16)13-5-4-8-15(13)3/h4-9H,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone?
(2,4-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 (2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 140996356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).