3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde

C8H11NO — CID 88975944

IUPAC3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde
SMILESCC1=CN=C(C=O)C(C)C1
InChIInChI=1S/C8H11NO/c1-6-3-7(2)8(5-10)9-4-6/h4-5,7H,3H2,1-2H3
InChIKeyDUVXWSIUEZGEMO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.57
Rot. Bonds1

About 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde

3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde (PubChem CID 88975944) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde
PubChem CID88975944
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde
SMILESCC1=CN=C(C=O)C(C)C1
InChIInChI=1S/C8H11NO/c1-6-3-7(2)8(5-10)9-4-6/h4-5,7H,3H2,1-2H3
InChIKeyDUVXWSIUEZGEMO-UHFFFAOYSA-N
XLogP1.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
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 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde?
The IUPAC name of 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde (CID 88975944) is 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde is CC1=CN=C(C=O)C(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde?
The InChIKey is DUVXWSIUEZGEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-7(2)8(5-10)9-4-6/h4-5,7H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde?
3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde has a molecular weight of 137.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,4-dihydropyridine-2-carbaldehyde is sourced from PubChem (CID 88975944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).