(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde

C7H11NO — CID 89305143

IUPAC(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESC[C@@H]1CCC=CN1C=O
InChIInChI=1S/C7H11NO/c1-7-4-2-3-5-8(7)6-9/h3,5-7H,2,4H2,1H3/t7-/m1/s1
InChIKeyBZXYQLBHEAVJFK-SSDOTTSWSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds1

About (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde

(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 89305143) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID89305143
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESC[C@@H]1CCC=CN1C=O
InChIInChI=1S/C7H11NO/c1-7-4-2-3-5-8(7)6-9/h3,5-7H,2,4H2,1H3/t7-/m1/s1
InChIKeyBZXYQLBHEAVJFK-SSDOTTSWSA-N
XLogP1.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde (CID 89305143) is (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde is C[C@@H]1CCC=CN1C=O.
What is the InChIKey of (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is BZXYQLBHEAVJFK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO/c1-7-4-2-3-5-8(7)6-9/h3,5-7H,2,4H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 89305143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).