2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde

C11H13NO3 — CID 169464063

IUPAC2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(C=CCN)cc1O
InChIInChI=1S/C11H13NO3/c1-15-11-6-9(7-13)8(3-2-4-12)5-10(11)14/h2-3,5-7,14H,4,12H2,1H3
InChIKeyXCYSVEDDCASUSH-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.19
Rot. Bonds4

About 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde

2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde (PubChem CID 169464063) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
PubChem CID169464063
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(C=CCN)cc1O
InChIInChI=1S/C11H13NO3/c1-15-11-6-9(7-13)8(3-2-4-12)5-10(11)14/h2-3,5-7,14H,4,12H2,1H3
InChIKeyXCYSVEDDCASUSH-UHFFFAOYSA-N
XLogP1.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-methoxy-2-(4-sulfanylbut-1-enyl)benzaldehyde
CID 170478897
4-(2-formyl-4-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170800253
5-hydroxy-4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496309
2-[(E)-3-aminoprop-1-enyl]-4,5-dimethylbenzaldehyde
CID 117281497
4-(2-formyl-4,5-dimethoxyphenyl)but-3-enamide
CID 170798764
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
CID 117298714
2-[1-(aminomethyl)cyclohexyl]-4-hydroxy-5-methoxybenzaldehyde
CID 117413127
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde (CID 169464063) is 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(C=CCN)cc1O.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde?
The InChIKey is XCYSVEDDCASUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11-6-9(7-13)8(3-2-4-12)5-10(11)14/h2-3,5-7,14H,4,12H2,1H3.
What are the key properties of 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde?
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde has a molecular weight of 207.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 169464063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).