1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde

C11H12N2O — CID 82374319

IUPAC1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde
SMILESCn1cccc1-c1ccc(C=O)n1C
InChIInChI=1S/C11H12N2O/c1-12-7-3-4-10(12)11-6-5-9(8-14)13(11)2/h3-8H,1-2H3
InChIKeyPTOJBCIBBNXRLR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.84
Rot. Bonds2

About 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde

1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde (PubChem CID 82374319) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde
PubChem CID82374319
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde
SMILESCn1cccc1-c1ccc(C=O)n1C
InChIInChI=1S/C11H12N2O/c1-12-7-3-4-10(12)11-6-5-9(8-14)13(11)2/h3-8H,1-2H3
InChIKeyPTOJBCIBBNXRLR-UHFFFAOYSA-N
XLogP1.84
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde
CID 96590420
1-methylpyrrole-2-carbaldehyde;hydrobromide
CID 175223674
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
CID 28811544
1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
CID 28811541
5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
CID 115004650
1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole
CID 15698587
1-methylcyclopenta[b]pyridine-5-carboxylic acid
CID 122374341
1-methyl-5-methylsulfonylpyrrole-2-carbaldehyde
CID 100952304
3-(1-methylpyrrol-2-yl)prop-2-enal
CID 54354656
1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole
CID 4645094
6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
CID 82390594
1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole
CID 86175660

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde (CID 82374319) is 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde is Cn1cccc1-c1ccc(C=O)n1C.
What is the InChIKey of 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde?
The InChIKey is PTOJBCIBBNXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-12-7-3-4-10(12)11-6-5-9(8-14)13(11)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde?
1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 82374319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).