1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate

C22H15NO4 — CID 10498532

IUPAC1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate
SMILESO=C(OCc1ccccc1)C(=O)ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H15NO4/c24-21(26-14-15-8-2-1-3-9-15)22(25)27-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13H,14H2
InChIKeyZMAAKUCVOAVDAC-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.71
Rot. Bonds3

About 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate

1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate (PubChem CID 10498532) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate.

Molecular Properties

Compound Name1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate
PubChem CID10498532
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Name1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate
SMILESO=C(OCc1ccccc1)C(=O)ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H15NO4/c24-21(26-14-15-8-2-1-3-9-15)22(25)27-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13H,14H2
InChIKeyZMAAKUCVOAVDAC-UHFFFAOYSA-N
XLogP3.71
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate
CID 14785661
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
benzyl 2-chloro-2-oxoacetate
CID 11019858
benzyl carbamate;heptahydrochloride
CID 141351835
1-O-benzyl 2-O-nitro oxalate
CID 174376297
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649
dibenzyl (Z)-2-aminobut-2-enedioate
CID 138567184
CID 174906307
CID 174906307
benzyl acetate;carbamic acid
CID 159542161
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-hydroxyiminoacetate
CID 139661183

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate?
The IUPAC name of 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate (CID 10498532) is 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate.
What is the SMILES notation for 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate?
The canonical SMILES for 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate is O=C(OCc1ccccc1)C(=O)ON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate?
The InChIKey is ZMAAKUCVOAVDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4/c24-21(26-14-15-8-2-1-3-9-15)22(25)27-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13H,14H2.
What are the key properties of 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate?
1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate has a molecular weight of 357.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate is sourced from PubChem (CID 10498532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).