methyl 9-oxofluorene-2-carboximidate

C15H11NO2 — CID 163643317

IUPACmethyl 9-oxofluorene-2-carboximidate
SMILES[H]/N=C(\OC)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C15H11NO2/c1-18-15(16)9-6-7-11-10-4-2-3-5-12(10)14(17)13(11)8-9/h2-8,16H,1H3/b16-15-
InChIKeyIGDOYSGREDGPKE-NXVVXOECSA-N
MW237.26 g/mol
LogP2.87
Rot. Bonds1

About methyl 9-oxofluorene-2-carboximidate

methyl 9-oxofluorene-2-carboximidate (PubChem CID 163643317) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 9-oxofluorene-2-carboximidate.

Molecular Properties

Compound Namemethyl 9-oxofluorene-2-carboximidate
PubChem CID163643317
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Namemethyl 9-oxofluorene-2-carboximidate
SMILES[H]/N=C(\OC)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C15H11NO2/c1-18-15(16)9-6-7-11-10-4-2-3-5-12(10)14(17)13(11)8-9/h2-8,16H,1H3/b16-15-
InChIKeyIGDOYSGREDGPKE-NXVVXOECSA-N
XLogP2.87
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-oxofluorene-2-carboximidate?
The IUPAC name of methyl 9-oxofluorene-2-carboximidate (CID 163643317) is methyl 9-oxofluorene-2-carboximidate.
What is the SMILES notation for methyl 9-oxofluorene-2-carboximidate?
The canonical SMILES for methyl 9-oxofluorene-2-carboximidate is [H]/N=C(\OC)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of methyl 9-oxofluorene-2-carboximidate?
The InChIKey is IGDOYSGREDGPKE-NXVVXOECSA-N. The full InChI is InChI=1S/C15H11NO2/c1-18-15(16)9-6-7-11-10-4-2-3-5-12(10)14(17)13(11)8-9/h2-8,16H,1H3/b16-15-.
What are the key properties of methyl 9-oxofluorene-2-carboximidate?
methyl 9-oxofluorene-2-carboximidate has a molecular weight of 237.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxofluorene-2-carboximidate is sourced from PubChem (CID 163643317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).