2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde

C7H11NO — CID 173140486

IUPAC2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde
SMILESCC1C=CC(C)(C=O)N1
InChIInChI=1S/C7H11NO/c1-6-3-4-7(2,5-9)8-6/h3-6,8H,1-2H3
InChIKeyNADSPGBPHBFFCP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds1

About 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde

2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde (PubChem CID 173140486) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde
PubChem CID173140486
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde
SMILESCC1C=CC(C)(C=O)N1
InChIInChI=1S/C7H11NO/c1-6-3-4-7(2,5-9)8-6/h3-6,8H,1-2H3
InChIKeyNADSPGBPHBFFCP-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19932494
CID 19932494
CID 20648808
CID 20648808
CID 56998424
CID 56998424
CID 87746160
CID 87746160
CID 91247650
CID 91247650
CID 144594204
CID 144594204
CID 145136624
CID 145136624
CID 153353430
CID 153353430
CID 153353431
CID 153353431
CID 157773370
CID 157773370
CID 173053845
CID 173053845
CID 173062247
CID 173062247

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde (CID 173140486) is 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde is CC1C=CC(C)(C=O)N1.
What is the InChIKey of 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde?
The InChIKey is NADSPGBPHBFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-7(2,5-9)8-6/h3-6,8H,1-2H3.
What are the key properties of 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde?
2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2-dihydropyrrole-5-carbaldehyde is sourced from PubChem (CID 173140486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).