5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol

C17H15FN2O — CID 90688341

IUPAC5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol
SMILESCCC1C=C(c2ccc[nH]2)c2c(O)[nH]c3ccc(F)c1c23
InChIInChI=1S/C17H15FN2O/c1-2-9-8-10(12-4-3-7-19-12)15-16-13(20-17(15)21)6-5-11(18)14(9)16/h3-9,19-21H,2H2,1H3
InChIKeySWHUWNDQUUCNLJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.28
Rot. Bonds2

About 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol

5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol (PubChem CID 90688341) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol.

Molecular Properties

Compound Name5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol
PubChem CID90688341
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol
SMILESCCC1C=C(c2ccc[nH]2)c2c(O)[nH]c3ccc(F)c1c23
InChIInChI=1S/C17H15FN2O/c1-2-9-8-10(12-4-3-7-19-12)15-16-13(20-17(15)21)6-5-11(18)14(9)16/h3-9,19-21H,2H2,1H3
InChIKeySWHUWNDQUUCNLJ-UHFFFAOYSA-N
XLogP4.28
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol?
The IUPAC name of 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol (CID 90688341) is 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol.
What is the SMILES notation for 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol?
The canonical SMILES for 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol is CCC1C=C(c2ccc[nH]2)c2c(O)[nH]c3ccc(F)c1c23.
What is the InChIKey of 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol?
The InChIKey is SWHUWNDQUUCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-9-8-10(12-4-3-7-19-12)15-16-13(20-17(15)21)6-5-11(18)14(9)16/h3-9,19-21H,2H2,1H3.
What are the key properties of 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol?
5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol has a molecular weight of 282.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol is sourced from PubChem (CID 90688341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).