2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde

C14H17NO — CID 165493057

IUPAC2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde
SMILESO=Cc1ccccc1CN1C2CCC1CC2
InChIInChI=1S/C14H17NO/c16-10-12-4-2-1-3-11(12)9-15-13-5-6-14(15)8-7-13/h1-4,10,13-14H,5-9H2
InChIKeyRDKLYKUJIFVDOU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds3

About 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde

2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde (PubChem CID 165493057) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde
PubChem CID165493057
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde
SMILESO=Cc1ccccc1CN1C2CCC1CC2
InChIInChI=1S/C14H17NO/c16-10-12-4-2-1-3-11(12)9-15-13-5-6-14(15)8-7-13/h1-4,10,13-14H,5-9H2
InChIKeyRDKLYKUJIFVDOU-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
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

(2S)-1-(2-benzyl-3-oxo-1H-isoindole-4-carbonyl)pyrrolidine-2-carbaldehyde
CID 155521752
4-((Pyrrolidin-1-yl)methyl)benzaldehyde
CID 23090828
2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one
CID 14975971
2-cyclohexyl-5-fluoro-3H-isoindol-1-one
CID 135058491
2-(Dimethylaminomethyl)benzaldehyde; tris(oxoniumylidynemethyl)chromium
CID 86574941
2-Cyclohexyl-2,3-dihydro-1H-isoindol-1-one
CID 11063823
1-[4-({7-Azabicyclo[2.2.1]heptan-7-yl}methyl)phenyl]ethan-1-one
CID 137949353
2-(8-Benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-fluorobenzaldehyde
CID 20513796
2-[(Dimethylamino)methyl]-5-fluorobenzaldehyde
CID 87946053
2-(Diethylaminomethyl)-3-fluorobenzaldehyde
CID 123989027
4-phenyl-3-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]benzaldehyde
CID 139550916
2-Fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde
CID 140679394

Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde?
The IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde (CID 165493057) is 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde.
What is the SMILES notation for 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde?
The canonical SMILES for 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde is O=Cc1ccccc1CN1C2CCC1CC2.
What is the InChIKey of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde?
The InChIKey is RDKLYKUJIFVDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-10-12-4-2-1-3-11(12)9-15-13-5-6-14(15)8-7-13/h1-4,10,13-14H,5-9H2.
What are the key properties of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde?
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde has a molecular weight of 215.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde is sourced from PubChem (CID 165493057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).