(4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde

C7H9NO — CID 15783018

IUPAC(4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde
SMILESC[C@@H]1C=CNC=C1C=O
InChIInChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-6,8H,1H3/t6-/m1/s1
InChIKeyWWWYMNMCQUGMNT-ZCFIWIBFSA-N
MW123.15 g/mol
LogP0.82
Rot. Bonds1

About (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde

(4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde (PubChem CID 15783018) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde
PubChem CID15783018
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde
SMILESC[C@@H]1C=CNC=C1C=O
InChIInChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-6,8H,1H3/t6-/m1/s1
InChIKeyWWWYMNMCQUGMNT-ZCFIWIBFSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.82
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 (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde?
The IUPAC name of (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde (CID 15783018) is (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde.
What is the SMILES notation for (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde?
The canonical SMILES for (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde is C[C@@H]1C=CNC=C1C=O.
What is the InChIKey of (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde?
The InChIKey is WWWYMNMCQUGMNT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-6,8H,1H3/t6-/m1/s1.
What are the key properties of (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde?
(4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,4-dihydropyridine-3-carbaldehyde is sourced from PubChem (CID 15783018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).