4-chloro-1,3-dihydroindol-2-one

C8H6ClNO — CID 1480686

IUPAC4-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(Cl)cccc2N1
InChIInChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyXNSPDJAXCBZCRV-UHFFFAOYSA-N
MW167.59 g/mol
LogP1.83
Rot. Bonds

About 4-chloro-1,3-dihydroindol-2-one

4-chloro-1,3-dihydroindol-2-one (PubChem CID 1480686) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 4-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-chloro-1,3-dihydroindol-2-one
PubChem CID1480686
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name4-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(Cl)cccc2N1
InChIInChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyXNSPDJAXCBZCRV-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 4-chloro-1,3-dihydroindol-2-one (CID 1480686) is 4-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-chloro-1,3-dihydroindol-2-one is O=C1Cc2c(Cl)cccc2N1.
What is the InChIKey of 4-chloro-1,3-dihydroindol-2-one?
The InChIKey is XNSPDJAXCBZCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11).
What are the key properties of 4-chloro-1,3-dihydroindol-2-one?
4-chloro-1,3-dihydroindol-2-one has a molecular weight of 167.59 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 1480686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).