2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate

C18H17NO3 — CID 7730694

IUPAC2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
SMILESCN(C)CCOC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C18H17NO3/c1-19(2)10-11-22-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9H,10-11H2,1-2H3
InChIKeyWFYVZBALZLPYLG-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.62
Rot. Bonds4

About 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate

2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate (PubChem CID 7730694) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
PubChem CID7730694
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
SMILESCN(C)CCOC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C18H17NO3/c1-19(2)10-11-22-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9H,10-11H2,1-2H3
InChIKeyWFYVZBALZLPYLG-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate
CID 122493784
butyl 9,10-dioxoanthracene-1-carboxylate
CID 18098381
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
CID 2329503
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
CID 13478528
2-(dimethylamino)ethyl 2,3-bis(bromomethyl)benzoate
CID 54290065
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
butyl 2-(2-butoxycarbonylphenyl)-3-phenylbenzoate
CID 69286308
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate (CID 7730694) is 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate is CN(C)CCOC(=O)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate?
The InChIKey is WFYVZBALZLPYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(2)10-11-22-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate?
2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate is sourced from PubChem (CID 7730694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).