2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde

C11H12N2O2 — CID 2466733

IUPAC2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(-n2c(C)cc(C=O)c2C)no1
InChIInChI=1S/C11H12N2O2/c1-7-4-10(6-14)9(3)13(7)11-5-8(2)15-12-11/h4-6H,1-3H3
InChIKeyNDTIIGDOZXVDOY-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.20
Rot. Bonds2

About 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde (PubChem CID 2466733) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde
PubChem CID2466733
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(-n2c(C)cc(C=O)c2C)no1
InChIInChI=1S/C11H12N2O2/c1-7-4-10(6-14)9(3)13(7)11-5-8(2)15-12-11/h4-6H,1-3H3
InChIKeyNDTIIGDOZXVDOY-UHFFFAOYSA-N
XLogP2.20
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde (CID 2466733) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde is Cc1cc(-n2c(C)cc(C=O)c2C)no1.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde?
The InChIKey is NDTIIGDOZXVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-10(6-14)9(3)13(7)11-5-8(2)15-12-11/h4-6H,1-3H3.
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 2466733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).