6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde

C7H11NO — CID 54301799

IUPAC6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESCC1=CCCCN1C=O
InChIInChI=1S/C7H11NO/c1-7-4-2-3-5-8(7)6-9/h4,6H,2-3,5H2,1H3
InChIKeySESSRZUJTCYPOT-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds1

About 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde

6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 54301799) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID54301799
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESCC1=CCCCN1C=O
InChIInChI=1S/C7H11NO/c1-7-4-2-3-5-8(7)6-9/h4,6H,2-3,5H2,1H3
InChIKeySESSRZUJTCYPOT-UHFFFAOYSA-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'}

Analyze 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde (CID 54301799) is 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde is CC1=CCCCN1C=O.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is SESSRZUJTCYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7-4-2-3-5-8(7)6-9/h4,6H,2-3,5H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde?
6-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 6-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 54301799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).