tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate

C20H24FNO3 — CID 58101360

IUPACtert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate
SMILESCC(C)(C)OC(=O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H24FNO3/c1-20(2,3)25-17(23)11-15-14-9-6-10-16(21)18(14)22(19(15)24)12-13-7-4-5-8-13/h6,9-11,13H,4-5,7-8,12H2,1-3H3/b15-11+
InChIKeyZVJGVCNBUKLHAM-RVDMUPIBSA-N
MW345.41 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate

tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate (PubChem CID 58101360) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate.

Molecular Properties

Compound Nametert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate
PubChem CID58101360
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Nametert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate
SMILESCC(C)(C)OC(=O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H24FNO3/c1-20(2,3)25-17(23)11-15-14-9-6-10-16(21)18(14)22(19(15)24)12-13-7-4-5-8-13/h6,9-11,13H,4-5,7-8,12H2,1-3H3/b15-11+
InChIKeyZVJGVCNBUKLHAM-RVDMUPIBSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate?
The IUPAC name of tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate (CID 58101360) is tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate.
What is the SMILES notation for tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate?
The canonical SMILES for tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate is CC(C)(C)OC(=O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21.
What is the InChIKey of tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate?
The InChIKey is ZVJGVCNBUKLHAM-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-20(2,3)25-17(23)11-15-14-9-6-10-16(21)18(14)22(19(15)24)12-13-7-4-5-8-13/h6,9-11,13H,4-5,7-8,12H2,1-3H3/b15-11+.
What are the key properties of tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate?
tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate has a molecular weight of 345.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetate is sourced from PubChem (CID 58101360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).