2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde

C8H13NO — CID 57288665

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde
SMILESCN1CC=C(CC=O)CC1
InChIInChI=1S/C8H13NO/c1-9-5-2-8(3-6-9)4-7-10/h2,7H,3-6H2,1H3
InChIKeyNZRLHWQORUBIAU-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds2

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde (PubChem CID 57288665) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde
PubChem CID57288665
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde
SMILESCN1CC=C(CC=O)CC1
InChIInChI=1S/C8H13NO/c1-9-5-2-8(3-6-9)4-7-10/h2,7H,3-6H2,1H3
InChIKeyNZRLHWQORUBIAU-UHFFFAOYSA-N
XLogP0.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde (CID 57288665) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde is CN1CC=C(CC=O)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde?
The InChIKey is NZRLHWQORUBIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-5-2-8(3-6-9)4-7-10/h2,7H,3-6H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde has a molecular weight of 139.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde is sourced from PubChem (CID 57288665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).