5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione

C14H15FN2O3 — CID 103339155

IUPAC5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione
SMILESC=CCN(CCOC)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C14H15FN2O3/c1-3-4-17(5-6-20-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h3,7-8H,1,4-6H2,2H3,(H,16,18,19)
InChIKeyZZWGHJDNPNZCJH-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.60
Rot. Bonds6

About 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione

5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione (PubChem CID 103339155) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione
PubChem CID103339155
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione
SMILESC=CCN(CCOC)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C14H15FN2O3/c1-3-4-17(5-6-20-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h3,7-8H,1,4-6H2,2H3,(H,16,18,19)
InChIKeyZZWGHJDNPNZCJH-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione (CID 103339155) is 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione is C=CCN(CCOC)c1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione?
The InChIKey is ZZWGHJDNPNZCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-4-17(5-6-20-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h3,7-8H,1,4-6H2,2H3,(H,16,18,19).
What are the key properties of 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione?
5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione has a molecular weight of 278.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-methoxyethyl(prop-2-enyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 103339155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).