1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde

C14H15NO — CID 84679810

IUPAC1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
SMILESCc1ccccc1-c1cc(C)n(C)c1C=O
InChIInChI=1S/C14H15NO/c1-10-6-4-5-7-12(10)13-8-11(2)15(3)14(13)9-16/h4-9H,1-3H3
InChIKeySYXMVEZFBBUVFE-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.12
Rot. Bonds2

About 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde

1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde (PubChem CID 84679810) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
PubChem CID84679810
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
SMILESCc1ccccc1-c1cc(C)n(C)c1C=O
InChIInChI=1S/C14H15NO/c1-10-6-4-5-7-12(10)13-8-11(2)15(3)14(13)9-16/h4-9H,1-3H3
InChIKeySYXMVEZFBBUVFE-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-3-(4-methylphenyl)pyrrole-2-carbaldehyde
CID 84679814
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
2-methyl-5-(2-methylphenyl)-3-oxo-1H-pyrazole-4-carbaldehyde
CID 84681744
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde
CID 21239445
1,3,4-trimethylindole-2-carbaldehyde
CID 105442636
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde
CID 178138249
5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde
CID 84679809

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde (CID 84679810) is 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde is Cc1ccccc1-c1cc(C)n(C)c1C=O.
What is the InChIKey of 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde?
The InChIKey is SYXMVEZFBBUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-6-4-5-7-12(10)13-8-11(2)15(3)14(13)9-16/h4-9H,1-3H3.
What are the key properties of 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde?
1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 84679810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).