methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate

C16H15NO3 — CID 172981159

IUPACmethane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate
SMILESC.COC(=O)c1cccc2c1-c1ccccc1/C2=N\O
InChIInChI=1S/C15H11NO3.CH4/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18;/h2-8,18H,1H3;1H4/b16-14+;
InChIKeyJETLSCBUAJAJKI-BACBYAOASA-N
MW269.30 g/mol
LogP3.32
Rot. Bonds1

About methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate

methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate (PubChem CID 172981159) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate.

Molecular Properties

Compound Namemethane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate
PubChem CID172981159
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate
SMILESC.COC(=O)c1cccc2c1-c1ccccc1/C2=N\O
InChIInChI=1S/C15H11NO3.CH4/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18;/h2-8,18H,1H3;1H4/b16-14+;
InChIKeyJETLSCBUAJAJKI-BACBYAOASA-N
XLogP3.32
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(9Z)-N-hydroxy-9-hydroxyiminofluorene-4-carboxamide
CID 5395361
methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
CID 752427
(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide
CID 99638212
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
ethane;methyl 2-methoxybenzoate
CID 178037044
ethyl 9-[[4-[2-(4-ethoxycarbonylfluoren-9-ylidene)hydrazinyl]-2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-dien-1-yl]hydrazinylidene]fluorene-4-carboxylate
CID 91418388
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 3-methyl-2-[2-(3-phenylphenyl)phenyl]benzoate
CID 154647076
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121

Frequently Asked Questions

What is the IUPAC name of methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
The IUPAC name of methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate (CID 172981159) is methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate.
What is the SMILES notation for methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
The canonical SMILES for methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate is C.COC(=O)c1cccc2c1-c1ccccc1/C2=N\O.
What is the InChIKey of methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
The InChIKey is JETLSCBUAJAJKI-BACBYAOASA-N. The full InChI is InChI=1S/C15H11NO3.CH4/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18;/h2-8,18H,1H3;1H4/b16-14+;.
What are the key properties of methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate is sourced from PubChem (CID 172981159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).