3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde

C11H13NO2 — CID 170486802

IUPAC3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde
SMILESNCCC=Cc1cc(C=O)ccc1O
InChIInChI=1S/C11H13NO2/c12-6-2-1-3-10-7-9(8-13)4-5-11(10)14/h1,3-5,7-8,14H,2,6,12H2
InChIKeyPGPJBNFYZJJTFD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.57
Rot. Bonds4

About 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde

3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde (PubChem CID 170486802) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde
PubChem CID170486802
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde
SMILESNCCC=Cc1cc(C=O)ccc1O
InChIInChI=1S/C11H13NO2/c12-6-2-1-3-10-7-9(8-13)4-5-11(10)14/h1,3-5,7-8,14H,2,6,12H2
InChIKeyPGPJBNFYZJJTFD-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569
2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
CID 170486809
4-(4-aminobut-1-enyl)benzene-1,3-diol
CID 170486543
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
4-(4-aminobut-1-enyl)-2,3-difluorophenol
CID 170486884
5-(4-aminobut-1-enyl)-2-methylphenol
CID 170486582
4-(4-aminobut-1-enyl)-2-methoxybenzaldehyde
CID 170487189
3-(4-aminobut-1-enyl)-2-hydroxy-5-nitrobenzaldehyde
CID 170487790
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
CID 59104271
3-(4-aminobut-1-enyl)-4-methylphenol
CID 170486573
2-(4-aminobut-1-enyl)-5-bromobenzoic acid
CID 170487997
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde?
The IUPAC name of 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde (CID 170486802) is 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde.
What is the SMILES notation for 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde?
The canonical SMILES for 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde is NCCC=Cc1cc(C=O)ccc1O.
What is the InChIKey of 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde?
The InChIKey is PGPJBNFYZJJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-6-2-1-3-10-7-9(8-13)4-5-11(10)14/h1,3-5,7-8,14H,2,6,12H2.
What are the key properties of 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde?
3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde is sourced from PubChem (CID 170486802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).