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

C8H11NO2 — CID 87746160

IUPAC1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde
SMILESCN1C(C=O)C=CC1(C)C=O
InChIInChI=1S/C8H11NO2/c1-8(6-11)4-3-7(5-10)9(8)2/h3-7H,1-2H3
InChIKeyHVKMNHDMCQWUAM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.01
Rot. Bonds2

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

1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde (PubChem CID 87746160) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde.

Molecular Properties

Compound Name1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde
PubChem CID87746160
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde
SMILESCN1C(C=O)C=CC1(C)C=O
InChIInChI=1S/C8H11NO2/c1-8(6-11)4-3-7(5-10)9(8)2/h3-7H,1-2H3
InChIKeyHVKMNHDMCQWUAM-UHFFFAOYSA-N
XLogP0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde?
The IUPAC name of 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde (CID 87746160) is 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde.
What is the SMILES notation for 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde?
The canonical SMILES for 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde is CN1C(C=O)C=CC1(C)C=O.
What is the InChIKey of 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde?
The InChIKey is HVKMNHDMCQWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(6-11)4-3-7(5-10)9(8)2/h3-7H,1-2H3.
What are the key properties of 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde?
1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2H-pyrrole-2,5-dicarbaldehyde is sourced from PubChem (CID 87746160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).