methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate

C13H12FNO4 — CID 44541461

IUPACmethyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1(O)C(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C13H12FNO4/c1-7(11(16)19-3)13(18)9-6-8(14)4-5-10(9)15(2)12(13)17/h4-6,18H,1H2,2-3H3
InChIKeyPMTVNOKRADODHN-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate

methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate (PubChem CID 44541461) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate
PubChem CID44541461
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Namemethyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1(O)C(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C13H12FNO4/c1-7(11(16)19-3)13(18)9-6-8(14)4-5-10(9)15(2)12(13)17/h4-6,18H,1H2,2-3H3
InChIKeyPMTVNOKRADODHN-UHFFFAOYSA-N
XLogP0.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate?
The IUPAC name of methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate (CID 44541461) is methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate?
The canonical SMILES for methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate is C=C(C(=O)OC)C1(O)C(=O)N(C)c2ccc(F)cc21.
What is the InChIKey of methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate?
The InChIKey is PMTVNOKRADODHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7(11(16)19-3)13(18)9-6-8(14)4-5-10(9)15(2)12(13)17/h4-6,18H,1H2,2-3H3.
What are the key properties of methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate?
methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate has a molecular weight of 265.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-3-hydroxy-1-methyl-2-oxoindol-3-yl)prop-2-enoate is sourced from PubChem (CID 44541461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).