7-chloro-1,4,5,6-tetrahydroindol-2-one

C8H8ClNO — CID 12813897

IUPAC7-chloro-1,4,5,6-tetrahydroindol-2-one
SMILESO=C1C=C2CCCC(Cl)=C2N1
InChIInChI=1S/C8H8ClNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h4H,1-3H2,(H,10,11)
InChIKeyNZHBZEWXBWXAIH-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.68
Rot. Bonds

About 7-chloro-1,4,5,6-tetrahydroindol-2-one

7-chloro-1,4,5,6-tetrahydroindol-2-one (PubChem CID 12813897) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 7-chloro-1,4,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name7-chloro-1,4,5,6-tetrahydroindol-2-one
PubChem CID12813897
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name7-chloro-1,4,5,6-tetrahydroindol-2-one
SMILESO=C1C=C2CCCC(Cl)=C2N1
InChIInChI=1S/C8H8ClNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h4H,1-3H2,(H,10,11)
InChIKeyNZHBZEWXBWXAIH-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4,5,6-tetrahydroindol-2-one?
The IUPAC name of 7-chloro-1,4,5,6-tetrahydroindol-2-one (CID 12813897) is 7-chloro-1,4,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 7-chloro-1,4,5,6-tetrahydroindol-2-one?
The canonical SMILES for 7-chloro-1,4,5,6-tetrahydroindol-2-one is O=C1C=C2CCCC(Cl)=C2N1.
What is the InChIKey of 7-chloro-1,4,5,6-tetrahydroindol-2-one?
The InChIKey is NZHBZEWXBWXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h4H,1-3H2,(H,10,11).
What are the key properties of 7-chloro-1,4,5,6-tetrahydroindol-2-one?
7-chloro-1,4,5,6-tetrahydroindol-2-one has a molecular weight of 169.61 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 12813897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).