2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one

C22H17NO2 — CID 821961

IUPAC2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one
SMILESCCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C22H17NO2/c1-2-25-17-10-7-15(8-11-17)14-23-16-9-12-19-18-5-3-4-6-20(18)22(24)21(19)13-16/h3-14H,2H2,1H3/b23-14+
InChIKeyMKNRBMCFGAETPO-OEAKJJBVSA-N
MW327.38 g/mol
LogP5.05
Rot. Bonds4

About 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one

2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one (PubChem CID 821961) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one
PubChem CID821961
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one
SMILESCCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C22H17NO2/c1-2-25-17-10-7-15(8-11-17)14-23-16-9-12-19-18-5-3-4-6-20(18)22(24)21(19)13-16/h3-14H,2H2,1H3/b23-14+
InChIKeyMKNRBMCFGAETPO-OEAKJJBVSA-N
XLogP5.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one?
The IUPAC name of 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one (CID 821961) is 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one is CCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one?
The InChIKey is MKNRBMCFGAETPO-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H17NO2/c1-2-25-17-10-7-15(8-11-17)14-23-16-9-12-19-18-5-3-4-6-20(18)22(24)21(19)13-16/h3-14H,2H2,1H3/b23-14+.
What are the key properties of 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one?
2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one has a molecular weight of 327.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one is sourced from PubChem (CID 821961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).