[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate

C23H25NO3 — CID 164786879

IUPAC[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
SMILESCCCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H25NO3/c1-3-4-5-6-11-22(24-27-16(2)25)23(26)18-12-13-21-19(15-18)14-17-9-7-8-10-20(17)21/h7-10,12-13,15H,3-6,11,14H2,1-2H3/b24-22+
InChIKeyRQRGQFCNJWQABW-ZNTNEXAZSA-N
MW363.46 g/mol
LogP5.33
Rot. Bonds8

About [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate

[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate (PubChem CID 164786879) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
PubChem CID164786879
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
SMILESCCCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H25NO3/c1-3-4-5-6-11-22(24-27-16(2)25)23(26)18-12-13-21-19(15-18)14-17-9-7-8-10-20(17)21/h7-10,12-13,15H,3-6,11,14H2,1-2H3/b24-22+
InChIKeyRQRGQFCNJWQABW-ZNTNEXAZSA-N
XLogP5.33
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[1-(9,9-dipropylfluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
CID 164786886
[(E)-[1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9H-fluoren-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463529
[(E)-(1-oxo-1-phenyloctan-2-ylidene)amino] benzoate
CID 164704501
2-hydroxyethyl 4-[4-[(2E)-2-acetyloxyiminotridecanoyl]phenoxy]benzoate
CID 172961853
[(E)-[1-[7-[(2E)-2-acetyloxyiminohexanoyl]-9,9-bis(methylsulfanylcarbonyloxymethyl)fluoren-2-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 139554698
[[1-[6-(2-acetyloxyimino-3-cyclohexylpropanoyl)-9-ethylcarbazol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 175369821
[(E)-[1-[9-ethyl-6-(2-hydroxy-2-methylpropanoyl)carbazol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463660
[(E)-[1-[7-[(2E)-2-acetyloxyiminohexanoyl]-9,9-bis[3-propoxy-2-(propoxymethyl)propyl]fluoren-2-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 139554840
9H-fluorene;henicosane
CID 174789372
[(E)-[1-(9,9-diethylfluoren-2-yl)-1-oxobutan-2-ylidene]amino] acetate
CID 177419510
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846362
[[1-(4-benzoylphenyl)-1-oxoheptan-2-ylidene]amino] benzoate
CID 87071558

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate?
The IUPAC name of [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate (CID 164786879) is [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate.
What is the SMILES notation for [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate?
The canonical SMILES for [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate is CCCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate?
The InChIKey is RQRGQFCNJWQABW-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-4-5-6-11-22(24-27-16(2)25)23(26)18-12-13-21-19(15-18)14-17-9-7-8-10-20(17)21/h7-10,12-13,15H,3-6,11,14H2,1-2H3/b24-22+.
What are the key properties of [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate?
[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate has a molecular weight of 363.46 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate is sourced from PubChem (CID 164786879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).