3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one

C12H11FN2O2 — CID 175399062

IUPAC3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one
SMILESNC/C(=C\F)COC1=c2ccccc2=NC1=O
InChIInChI=1S/C12H11FN2O2/c13-5-8(6-14)7-17-11-9-3-1-2-4-10(9)15-12(11)16/h1-5H,6-7,14H2/b8-5+
InChIKeyDPJUWYGXNVTCDL-VMPITWQZSA-N
MW234.23 g/mol
LogP-0.22
Rot. Bonds4

About 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one

3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one (PubChem CID 175399062) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one.

Molecular Properties

Compound Name3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one
PubChem CID175399062
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one
SMILESNC/C(=C\F)COC1=c2ccccc2=NC1=O
InChIInChI=1S/C12H11FN2O2/c13-5-8(6-14)7-17-11-9-3-1-2-4-10(9)15-12(11)16/h1-5H,6-7,14H2/b8-5+
InChIKeyDPJUWYGXNVTCDL-VMPITWQZSA-N
XLogP-0.22
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one?
The IUPAC name of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one (CID 175399062) is 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one.
What is the SMILES notation for 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one?
The canonical SMILES for 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one is NC/C(=C\F)COC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one?
The InChIKey is DPJUWYGXNVTCDL-VMPITWQZSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-5-8(6-14)7-17-11-9-3-1-2-4-10(9)15-12(11)16/h1-5H,6-7,14H2/b8-5+.
What are the key properties of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one?
3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one has a molecular weight of 234.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one is sourced from PubChem (CID 175399062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).