2-(2,3-dihydroxy-N-propylanilino)acetaldehyde

C11H15NO3 — CID 174927944

IUPAC2-(2,3-dihydroxy-N-propylanilino)acetaldehyde
SMILESCCCN(CC=O)c1cccc(O)c1O
InChIInChI=1S/C11H15NO3/c1-2-6-12(7-8-13)9-4-3-5-10(14)11(9)15/h3-5,8,14-15H,2,6-7H2,1H3
InChIKeyJXGADNMIOXDJQB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.51
Rot. Bonds5

About 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde

2-(2,3-dihydroxy-N-propylanilino)acetaldehyde (PubChem CID 174927944) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydroxy-N-propylanilino)acetaldehyde
PubChem CID174927944
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(2,3-dihydroxy-N-propylanilino)acetaldehyde
SMILESCCCN(CC=O)c1cccc(O)c1O
InChIInChI=1S/C11H15NO3/c1-2-6-12(7-8-13)9-4-3-5-10(14)11(9)15/h3-5,8,14-15H,2,6-7H2,1H3
InChIKeyJXGADNMIOXDJQB-UHFFFAOYSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(dipropylamino)naphthalene-1-carbaldehyde
CID 87392151
2-[ethyl(propyl)amino]-6-methylbenzaldehyde
CID 142972786
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
CID 86051450
2-[[2-(dipropylamino)phenyl]methyl]phenol
CID 174733371
6-[2-(2,3-dihydroxy-N-propylanilino)ethoxy]-1-benzofuran-2-carboxylic acid
CID 57289542
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
2-bromo-6-(dipropylamino)benzoic acid
CID 114888032
2-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 154487648
1-[2-amino-3-(dipropylamino)phenyl]ethanone
CID 70335782
3-[(dibutylamino)methyl]benzene-1,2-diol
CID 15553610
2,3-bis(dipentylamino)phenol
CID 67225665
2,3-dihydroxybenzaldehyde
CID 159243971

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde?
The IUPAC name of 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde (CID 174927944) is 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde.
What is the SMILES notation for 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde?
The canonical SMILES for 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde is CCCN(CC=O)c1cccc(O)c1O.
What is the InChIKey of 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde?
The InChIKey is JXGADNMIOXDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-6-12(7-8-13)9-4-3-5-10(14)11(9)15/h3-5,8,14-15H,2,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde?
2-(2,3-dihydroxy-N-propylanilino)acetaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxy-N-propylanilino)acetaldehyde is sourced from PubChem (CID 174927944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).