methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate

C16H11NO5 — CID 20683573

IUPACmethyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate
SMILESCOC(=O)c1cc(C)cc2c1-c1ccc([N+](=O)[O-])cc1C2=O
InChIInChI=1S/C16H11NO5/c1-8-5-12-14(13(6-8)16(19)22-2)10-4-3-9(17(20)21)7-11(10)15(12)18/h3-7H,1-2H3
InChIKeyIMAQPVWOIOFGNJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.90
Rot. Bonds2

About methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate

methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate (PubChem CID 20683573) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate
PubChem CID20683573
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Namemethyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate
SMILESCOC(=O)c1cc(C)cc2c1-c1ccc([N+](=O)[O-])cc1C2=O
InChIInChI=1S/C16H11NO5/c1-8-5-12-14(13(6-8)16(19)22-2)10-4-3-9(17(20)21)7-11(10)15(12)18/h3-7H,1-2H3
InChIKeyIMAQPVWOIOFGNJ-UHFFFAOYSA-N
XLogP2.90
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2,7-dinitro-9-oxofluorene-4-carboxylate
CID 2802144
methyl 9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
CID 6796429
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
methyl 2-(3-methyl-9H-fluoren-1-yl)-4-nitrobenzoate
CID 150029408
2-methoxycarbonyl-5-nitrobenzoic acid
CID 13221841
methyl 2-(4-chlorophenyl)-5-nitrobenzoate
CID 69324152
methyl 5-chloro-2-(3-methyl-5-nitrophenyl)benzoate
CID 102257391
5-hydroxy-2-nitrofluoren-9-one
CID 5324263
methyl 2-ethyl-5-nitrobenzoate
CID 54220219
N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide
CID 2817538
(2S)-2-chloropropanoic acid;7-nitro-9-oxofluorene-4-carboxylic acid
CID 157056550
methyl 5-(2-methoxycarbonyl-5-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 12508154

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate?
The IUPAC name of methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate (CID 20683573) is methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate?
The canonical SMILES for methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate is COC(=O)c1cc(C)cc2c1-c1ccc([N+](=O)[O-])cc1C2=O.
What is the InChIKey of methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate?
The InChIKey is IMAQPVWOIOFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c1-8-5-12-14(13(6-8)16(19)22-2)10-4-3-9(17(20)21)7-11(10)15(12)18/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate?
methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate is sourced from PubChem (CID 20683573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).