2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde

C21H17NO2 — CID 129178306

IUPAC2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde
SMILESC=Nc1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1/C=C\C
InChIInChI=1S/C21H17NO2/c1-3-5-18-16(6-4-7-20(18)22-2)14-8-10-17-15(12-14)9-11-21(24)19(17)13-23/h3-13,24H,2H2,1H3/b5-3-
InChIKeyWPFVTKKYIDYSPU-HYXAFXHYSA-N
MW315.37 g/mol
LogP5.39
Rot. Bonds4

About 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde

2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde (PubChem CID 129178306) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde
PubChem CID129178306
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde
SMILESC=Nc1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1/C=C\C
InChIInChI=1S/C21H17NO2/c1-3-5-18-16(6-4-7-20(18)22-2)14-8-10-17-15(12-14)9-11-21(24)19(17)13-23/h3-13,24H,2H2,1H3/b5-3-
InChIKeyWPFVTKKYIDYSPU-HYXAFXHYSA-N
XLogP5.39
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde (CID 129178306) is 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde is C=Nc1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1/C=C\C.
What is the InChIKey of 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde?
The InChIKey is WPFVTKKYIDYSPU-HYXAFXHYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-3-5-18-16(6-4-7-20(18)22-2)14-8-10-17-15(12-14)9-11-21(24)19(17)13-23/h3-13,24H,2H2,1H3/b5-3-.
What are the key properties of 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde has a molecular weight of 315.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 129178306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).