2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde

C9H11NO — CID 172687772

IUPAC2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde
SMILES[2H]c1c([2H])c(N(C)C)c([2H])c([2H])c1C=O
InChIInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3/i3D,4D,5D,6D
InChIKeyBGNGWHSBYQYVRX-LNFUJOGGSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds2

About 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde

2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde (PubChem CID 172687772) has the molecular formula C9H11NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde
PubChem CID172687772
Molecular FormulaC9H11NO
Molecular Weight153.22 g/mol
Exact Mass153.11
IUPAC Name2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde
SMILES[2H]c1c([2H])c(N(C)C)c([2H])c([2H])c1C=O
InChIInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3/i3D,4D,5D,6D
InChIKeyBGNGWHSBYQYVRX-LNFUJOGGSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
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

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4-(Bis(2-chloroethyl)amino)benzaldehyde
CID 71018
4-Aminobenzaldehyde
CID 11158
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(Dimethylamino)cinnamaldehyde
CID 5284506
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
4-Dimethylaminoacetophenone
CID 75037
p-(Dimethylamino)benzohydrazide
CID 88019
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde (CID 172687772) is 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde is [2H]c1c([2H])c(N(C)C)c([2H])c([2H])c1C=O.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde?
The InChIKey is BGNGWHSBYQYVRX-LNFUJOGGSA-N. The full InChI is InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3/i3D,4D,5D,6D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde?
2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde is sourced from PubChem (CID 172687772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).