[(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate

C21H19NO3 — CID 126560419

IUPAC[(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate
SMILESCC/C=C1/c2ccccc2-c2ccc(C(=O)/C(C)=N\OC(C)=O)cc21
InChIInChI=1S/C21H19NO3/c1-4-7-16-17-8-5-6-9-18(17)19-11-10-15(12-20(16)19)21(24)13(2)22-25-14(3)23/h5-12H,4H2,1-3H3/b16-7-,22-13-
InChIKeyXDPNASHFCSBUDH-JNVWOSQMSA-N
MW333.39 g/mol
LogP4.63
Rot. Bonds4

About [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate

[(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate (PubChem CID 126560419) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate
PubChem CID126560419
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name[(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate
SMILESCC/C=C1/c2ccccc2-c2ccc(C(=O)/C(C)=N\OC(C)=O)cc21
InChIInChI=1S/C21H19NO3/c1-4-7-16-17-8-5-6-9-18(17)19-11-10-15(12-20(16)19)21(24)13(2)22-25-14(3)23/h5-12H,4H2,1-3H3/b16-7-,22-13-
InChIKeyXDPNASHFCSBUDH-JNVWOSQMSA-N
XLogP4.63
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.63
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-oxopropan-2-ylidene]amino] butanoate
CID 122695465
[[1-[7-(4-methylphenyl)sulfanyl-9,9-diphenylfluoren-2-yl]-1-oxopropan-2-ylidene]amino] acetate
CID 151597187
[(E)-[1-(9,9-diethylfluoren-2-yl)-1-oxobutan-2-ylidene]amino] acetate
CID 177419510
[(1-oxo-1-phenylpropan-2-ylidene)amino] propanoate
CID 58599131
[(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)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
CID 164786879
[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate
CID 167275551
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
[(E)-[1-[4-[2-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate
CID 58283565
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
CID 6537974

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate?
The IUPAC name of [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate (CID 126560419) is [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate.
What is the SMILES notation for [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate?
The canonical SMILES for [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate is CC/C=C1/c2ccccc2-c2ccc(C(=O)/C(C)=N\OC(C)=O)cc21.
What is the InChIKey of [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate?
The InChIKey is XDPNASHFCSBUDH-JNVWOSQMSA-N. The full InChI is InChI=1S/C21H19NO3/c1-4-7-16-17-8-5-6-9-18(17)19-11-10-15(12-20(16)19)21(24)13(2)22-25-14(3)23/h5-12H,4H2,1-3H3/b16-7-,22-13-.
What are the key properties of [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate?
[(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate has a molecular weight of 333.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-oxo-1-[(9Z)-9-propylidenefluoren-2-yl]propan-2-ylidene]amino] acetate is sourced from PubChem (CID 126560419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).