[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate

C24H27NO3 — CID 122695465

IUPAC[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate
SMILESCCCC(=O)O/N=C(/C)C(=O)c1ccc2c(c1)C(CC)(CC)c1ccccc1-2
InChIInChI=1S/C24H27NO3/c1-5-10-22(26)28-25-16(4)23(27)17-13-14-19-18-11-8-9-12-20(18)24(6-2,7-3)21(19)15-17/h8-9,11-15H,5-7,10H2,1-4H3/b25-16-
InChIKeyLUYGCRONBGEFLM-XYGWBWBKSA-N
MW377.48 g/mol
LogP5.68
Rot. Bonds7

About [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate

[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate (PubChem CID 122695465) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate.

Molecular Properties

Compound Name[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate
PubChem CID122695465
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate
SMILESCCCC(=O)O/N=C(/C)C(=O)c1ccc2c(c1)C(CC)(CC)c1ccccc1-2
InChIInChI=1S/C24H27NO3/c1-5-10-22(26)28-25-16(4)23(27)17-13-14-19-18-11-8-9-12-20(18)24(6-2,7-3)21(19)15-17/h8-9,11-15H,5-7,10H2,1-4H3/b25-16-
InChIKeyLUYGCRONBGEFLM-XYGWBWBKSA-N
XLogP5.68
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

[[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate
CID 122685051
[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopentan-2-ylidene]amino] pentanoate
CID 122695452
[(E)-[1-(9,9-diethylfluoren-2-yl)-1-oxobutan-2-ylidene]amino] acetate
CID 177419510
[(Z)-[1-[9,9-dibutyl-5-[4-[9-butyl-2-[(2Z)-2-hexanoyloxyiminopropanoyl]fluoren-9-yl]butyl]fluoren-2-yl]-1-oxopropan-2-ylidene]amino] heptanoate
CID 134185664
[(Z)-[1-[4-[(4Z)-5-[4-[(4Z)-5-(9,9-diethylfluoren-2-yl)-5-oxo-4-pentanoyloxyiminopentyl]-9,9-diethylfluoren-2-yl]-4-hexanoyloxyimino-5-oxopentyl]-9,9-diethylfluoren-2-yl]-1-oxopentan-2-ylidene]amino] heptanoate
CID 134185675
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
[(E)-[1-(9,9-dipropylfluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
CID 164786886
benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate
CID 122597218
[(E)-[(4Z)-4-benzoyloxyimino-4-(9,9-diethylfluoren-2-yl)-3-methylbutan-2-ylidene]amino] benzoate
CID 122485360
[(E)-[1-[7-[(2E)-2-benzoyloxyiminopropanoyl]-9,9-dimethylfluoren-2-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 122485408
[(E)-[3-cyclopentyl-1-(9,9-dipropylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate
CID 122597189
[(E)-[(4E)-4-(cyclohexanecarbonyloxyimino)-4-(9,9-diethylfluoren-2-yl)butan-2-ylidene]amino] cyclohexanecarboxylate
CID 122485317

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate?
The IUPAC name of [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate (CID 122695465) is [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate.
What is the SMILES notation for [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate?
The canonical SMILES for [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate is CCCC(=O)O/N=C(/C)C(=O)c1ccc2c(c1)C(CC)(CC)c1ccccc1-2.
What is the InChIKey of [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate?
The InChIKey is LUYGCRONBGEFLM-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H27NO3/c1-5-10-22(26)28-25-16(4)23(27)17-13-14-19-18-11-8-9-12-20(18)24(6-2,7-3)21(19)15-17/h8-9,11-15H,5-7,10H2,1-4H3/b25-16-.
What are the key properties of [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate?
[(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate has a molecular weight of 377.48 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(9,9-diethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] butanoate is sourced from PubChem (CID 122695465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).