3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde

C8H9NO2 — CID 3599076

IUPAC3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde
SMILESCc1c(C=O)[nH]c(C=O)c1C
InChIInChI=1S/C8H9NO2/c1-5-6(2)8(4-11)9-7(5)3-10/h3-4,9H,1-2H3
InChIKeyOBJSCIPKJZMQMD-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.26
Rot. Bonds2

About 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde

3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde (PubChem CID 3599076) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde.

Molecular Properties

Compound Name3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde
PubChem CID3599076
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde
SMILESCc1c(C=O)[nH]c(C=O)c1C
InChIInChI=1S/C8H9NO2/c1-5-6(2)8(4-11)9-7(5)3-10/h3-4,9H,1-2H3
InChIKeyOBJSCIPKJZMQMD-UHFFFAOYSA-N
XLogP1.26
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde?
The IUPAC name of 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde (CID 3599076) is 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde.
What is the SMILES notation for 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde?
The canonical SMILES for 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde is Cc1c(C=O)[nH]c(C=O)c1C.
What is the InChIKey of 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde?
The InChIKey is OBJSCIPKJZMQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-6(2)8(4-11)9-7(5)3-10/h3-4,9H,1-2H3.
What are the key properties of 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde?
3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde has a molecular weight of 151.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde is sourced from PubChem (CID 3599076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).