2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde

C11H13NO2 — CID 170486809

IUPAC2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
SMILESNCCC=Cc1cccc(O)c1C=O
InChIInChI=1S/C11H13NO2/c12-7-2-1-4-9-5-3-6-11(14)10(9)8-13/h1,3-6,8,14H,2,7,12H2
InChIKeyXFSKSIRGJBEDAC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.57
Rot. Bonds4

About 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde

2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde (PubChem CID 170486809) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
PubChem CID170486809
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
SMILESNCCC=Cc1cccc(O)c1C=O
InChIInChI=1S/C11H13NO2/c12-7-2-1-4-9-5-3-6-11(14)10(9)8-13/h1,3-6,8,14H,2,7,12H2
InChIKeyXFSKSIRGJBEDAC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde?
The IUPAC name of 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde (CID 170486809) is 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde?
The canonical SMILES for 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde is NCCC=Cc1cccc(O)c1C=O.
What is the InChIKey of 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde?
The InChIKey is XFSKSIRGJBEDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-7-2-1-4-9-5-3-6-11(14)10(9)8-13/h1,3-6,8,14H,2,7,12H2.
What are the key properties of 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde?
2-(4-aminobut-1-enyl)-6-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 2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde is sourced from PubChem (CID 170486809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).