5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one

C17H12ClNO2 — CID 66395714

IUPAC5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3Cc4ccccc43)c(Cl)cc2N1
InChIInChI=1S/C17H12ClNO2/c18-14-8-15-10(7-16(20)19-15)6-13(14)17(21)12-5-9-3-1-2-4-11(9)12/h1-4,6,8,12H,5,7H2,(H,19,20)
InChIKeyWEQLBAHEZSRMPV-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.36
Rot. Bonds2

About 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one

5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 66395714) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID66395714
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3Cc4ccccc43)c(Cl)cc2N1
InChIInChI=1S/C17H12ClNO2/c18-14-8-15-10(7-16(20)19-15)6-13(14)17(21)12-5-9-3-1-2-4-11(9)12/h1-4,6,8,12H,5,7H2,(H,19,20)
InChIKeyWEQLBAHEZSRMPV-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one (CID 66395714) is 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C3Cc4ccccc43)c(Cl)cc2N1.
What is the InChIKey of 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is WEQLBAHEZSRMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-8-15-10(7-16(20)19-15)6-13(14)17(21)12-5-9-3-1-2-4-11(9)12/h1-4,6,8,12H,5,7H2,(H,19,20).
What are the key properties of 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 297.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 66395714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).