methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate

C16H13N3O3 — CID 752427

IUPACmethyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1C2=NNC(N)=O
InChIInChI=1S/C16H13N3O3/c1-22-15(20)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)18-19-16(17)21/h2-8H,1H3,(H3,17,19,21)
InChIKeyTZSOUZFSFGBUOB-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.87
Rot. Bonds2

About methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate

methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate (PubChem CID 752427) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
PubChem CID752427
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1C2=NNC(N)=O
InChIInChI=1S/C16H13N3O3/c1-22-15(20)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)18-19-16(17)21/h2-8H,1H3,(H3,17,19,21)
InChIKeyTZSOUZFSFGBUOB-UHFFFAOYSA-N
XLogP1.87
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;methyl (9E)-9-hydroxyiminofluorene-4-carboxylate
CID 172981159
(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide
CID 5345605
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
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
methyl 3-methyl-2-[2-(3-phenylphenyl)phenyl]benzoate
CID 154647076
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-hydroxybenzoate;urea
CID 174888687
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 8-amino-9,10-dioxoanthracene-1-carboxylate
CID 70123121

Frequently Asked Questions

What is the IUPAC name of methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate?
The IUPAC name of methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate (CID 752427) is methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate.
What is the SMILES notation for methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate?
The canonical SMILES for methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate is COC(=O)c1cccc2c1-c1ccccc1C2=NNC(N)=O.
What is the InChIKey of methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate?
The InChIKey is TZSOUZFSFGBUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-15(20)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)18-19-16(17)21/h2-8H,1H3,(H3,17,19,21).
What are the key properties of methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate?
methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(carbamoylhydrazinylidene)fluorene-4-carboxylate is sourced from PubChem (CID 752427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).