4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde

C13H15NO2 — CID 88729636

IUPAC4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
SMILESC=CCN(CC=C)c1ccc(C=O)c(O)c1
InChIInChI=1S/C13H15NO2/c1-3-7-14(8-4-2)12-6-5-11(10-15)13(16)9-12/h3-6,9-10,16H,1-2,7-8H2
InChIKeyAEVZXTSHHHNEFT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.38
Rot. Bonds6

About 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde

4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde (PubChem CID 88729636) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
PubChem CID88729636
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
SMILESC=CCN(CC=C)c1ccc(C=O)c(O)c1
InChIInChI=1S/C13H15NO2/c1-3-7-14(8-4-2)12-6-5-11(10-15)13(16)9-12/h3-6,9-10,16H,1-2,7-8H2
InChIKeyAEVZXTSHHHNEFT-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde (CID 88729636) is 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde is C=CCN(CC=C)c1ccc(C=O)c(O)c1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde?
The InChIKey is AEVZXTSHHHNEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-7-14(8-4-2)12-6-5-11(10-15)13(16)9-12/h3-6,9-10,16H,1-2,7-8H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde?
4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde has a molecular weight of 217.27 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde is sourced from PubChem (CID 88729636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).