6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one

C22H17NO2 — CID 19100000

IUPAC6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(/C=C/c2c3ccccc3cc3ccccc23)n(O)c(=O)c1
InChIInChI=1S/C22H17NO2/c1-15-12-18(23(25)22(24)13-15)10-11-21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14,25H,1H3/b11-10+
InChIKeyCKBQWHSWCXZXTJ-ZHACJKMWSA-N
MW327.38 g/mol
LogP4.87
Rot. Bonds2

About 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one

6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 19100000) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID19100000
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(/C=C/c2c3ccccc3cc3ccccc23)n(O)c(=O)c1
InChIInChI=1S/C22H17NO2/c1-15-12-18(23(25)22(24)13-15)10-11-21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14,25H,1H3/b11-10+
InChIKeyCKBQWHSWCXZXTJ-ZHACJKMWSA-N
XLogP4.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one (CID 19100000) is 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(/C=C/c2c3ccccc3cc3ccccc23)n(O)c(=O)c1.
What is the InChIKey of 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is CKBQWHSWCXZXTJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H17NO2/c1-15-12-18(23(25)22(24)13-15)10-11-21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14,25H,1H3/b11-10+.
What are the key properties of 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one?
6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 327.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 19100000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).