7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one

C17H15FN2O — CID 57198727

IUPAC7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(F)cccc2C1=Cc1c[nH]c2c1CCCC2
InChIInChI=1S/C17H15FN2O/c18-14-6-3-5-12-13(17(21)20-16(12)14)8-10-9-19-15-7-2-1-4-11(10)15/h3,5-6,8-9,19H,1-2,4,7H2,(H,20,21)
InChIKeyAKIIPNSSCUHGGY-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.53
Rot. Bonds1

About 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one

7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one (PubChem CID 57198727) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one
PubChem CID57198727
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(F)cccc2C1=Cc1c[nH]c2c1CCCC2
InChIInChI=1S/C17H15FN2O/c18-14-6-3-5-12-13(17(21)20-16(12)14)8-10-9-19-15-7-2-1-4-11(10)15/h3,5-6,8-9,19H,1-2,4,7H2,(H,20,21)
InChIKeyAKIIPNSSCUHGGY-UHFFFAOYSA-N
XLogP3.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one (CID 57198727) is 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one is O=C1Nc2c(F)cccc2C1=Cc1c[nH]c2c1CCCC2.
What is the InChIKey of 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is AKIIPNSSCUHGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-14-6-3-5-12-13(17(21)20-16(12)14)8-10-9-19-15-7-2-1-4-11(10)15/h3,5-6,8-9,19H,1-2,4,7H2,(H,20,21).
What are the key properties of 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one?
7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 282.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 57198727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).