[(1,3-dioxoinden-2-ylidene)amino] benzoate

C16H9NO4 — CID 19034264

IUPAC[(1,3-dioxoinden-2-ylidene)amino] benzoate
SMILESO=C(ON=c1c(=O)c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C16H9NO4/c18-14-11-8-4-5-9-12(11)15(19)13(14)17-21-16(20)10-6-2-1-3-7-10/h1-9H
InChIKeyWOLBPKUWBHZUJL-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.11
Rot. Bonds2

About [(1,3-dioxoinden-2-ylidene)amino] benzoate

[(1,3-dioxoinden-2-ylidene)amino] benzoate (PubChem CID 19034264) has the molecular formula C16H9NO4 and a molecular weight of 279.25 g/mol. Its IUPAC name is [(1,3-dioxoinden-2-ylidene)amino] benzoate.

Molecular Properties

Compound Name[(1,3-dioxoinden-2-ylidene)amino] benzoate
PubChem CID19034264
Molecular FormulaC16H9NO4
Molecular Weight279.25 g/mol
Exact Mass279.05
IUPAC Name[(1,3-dioxoinden-2-ylidene)amino] benzoate
SMILESO=C(ON=c1c(=O)c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C16H9NO4/c18-14-11-8-4-5-9-12(11)15(19)13(14)17-21-16(20)10-6-2-1-3-7-10/h1-9H
InChIKeyWOLBPKUWBHZUJL-UHFFFAOYSA-N
XLogP1.11
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-1H-2,3-benzoxazin-1-one
CID 262685
9-(hydroxyimino)-9H-fluorene-1-carboxylic acid
CID 5381804
Poloxin
CID 9613592
Poloxin-2
CID 44188683
4-((1,3-Dioxoindan-2-ylidene)methyl)benzoic acid
CID 4050539
1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime)
CID 86537
9H-fluoren-9-one O-(2-fluorobenzoyl)oxime
CID 754845
(2,3-Dihydroinden-1-ylideneamino) 3-fluorobenzoate
CID 2807455
[(Z)-2,3-dihydroinden-1-ylideneamino] 3-fluorobenzoate
CID 5714256
[(E)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
CID 6311912
[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate
CID 5404020
5H-Dibenzo[a,d]cyclohepten-5-one, O-benzoyloxime
CID 382529

Frequently Asked Questions

What is the IUPAC name of [(1,3-dioxoinden-2-ylidene)amino] benzoate?
The IUPAC name of [(1,3-dioxoinden-2-ylidene)amino] benzoate (CID 19034264) is [(1,3-dioxoinden-2-ylidene)amino] benzoate.
What is the SMILES notation for [(1,3-dioxoinden-2-ylidene)amino] benzoate?
The canonical SMILES for [(1,3-dioxoinden-2-ylidene)amino] benzoate is O=C(ON=c1c(=O)c2ccccc2c1=O)c1ccccc1.
What is the InChIKey of [(1,3-dioxoinden-2-ylidene)amino] benzoate?
The InChIKey is WOLBPKUWBHZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO4/c18-14-11-8-4-5-9-12(11)15(19)13(14)17-21-16(20)10-6-2-1-3-7-10/h1-9H.
What are the key properties of [(1,3-dioxoinden-2-ylidene)amino] benzoate?
[(1,3-dioxoinden-2-ylidene)amino] benzoate has a molecular weight of 279.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dioxoinden-2-ylidene)amino] benzoate is sourced from PubChem (CID 19034264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).