4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde

C16H19NO — CID 88860701

IUPAC4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde
SMILESCC(C)(C)C1=NCCC(c2ccc(C=O)cc2)=C1
InChIInChI=1S/C16H19NO/c1-16(2,3)15-10-14(8-9-17-15)13-6-4-12(11-18)5-7-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeySPZARWDCFJQFEX-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.77
Rot. Bonds2

About 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde

4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde (PubChem CID 88860701) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde
PubChem CID88860701
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde
SMILESCC(C)(C)C1=NCCC(c2ccc(C=O)cc2)=C1
InChIInChI=1S/C16H19NO/c1-16(2,3)15-10-14(8-9-17-15)13-6-4-12(11-18)5-7-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeySPZARWDCFJQFEX-UHFFFAOYSA-N
XLogP3.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 129718749
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CID 135274951
4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde;ethane
CID 172585763
(5E)-5-(Butylimino)-1-phenylhexane-1,3-dione
CID 347371
1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone
CID 15265007
3,3,3-Trifluoro-1-(4-methylphenyl)-2-octyliminopropan-1-one
CID 101682390
[2-Fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite
CID 164881561
2-Benzoyl-3-(2-hydroxyethylimino)-5,5-dimethylcyclohexan-1-one
CID 7285269
3-Cyclohexylimino-1-phenylbutan-1-one
CID 289396
3,4-Dihydro-1-isopropylisoquinoline-7-carbaldehyde
CID 11735811
2-Butylimino-1,2-diphenylethanone
CID 15148494
3,4-Dihydro-1-propyl-7-isoquinolinecarboxaldehyde
CID 18680069

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde?
The IUPAC name of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde (CID 88860701) is 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde.
What is the SMILES notation for 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde?
The canonical SMILES for 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde is CC(C)(C)C1=NCCC(c2ccc(C=O)cc2)=C1.
What is the InChIKey of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde?
The InChIKey is SPZARWDCFJQFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)15-10-14(8-9-17-15)13-6-4-12(11-18)5-7-13/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde?
4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde has a molecular weight of 241.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)benzaldehyde is sourced from PubChem (CID 88860701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).