5-cyclopropylindol-2-one

C11H9NO — CID 150498597

IUPAC5-cyclopropylindol-2-one
SMILESO=C1C=c2cc(C3CC3)ccc2=N1
InChIInChI=1S/C11H9NO/c13-11-6-9-5-8(7-1-2-7)3-4-10(9)12-11/h3-7H,1-2H2
InChIKeyHXIBFBOYAVEIQI-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.50
Rot. Bonds1

About 5-cyclopropylindol-2-one

5-cyclopropylindol-2-one (PubChem CID 150498597) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-cyclopropylindol-2-one.

Molecular Properties

Compound Name5-cyclopropylindol-2-one
PubChem CID150498597
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name5-cyclopropylindol-2-one
SMILESO=C1C=c2cc(C3CC3)ccc2=N1
InChIInChI=1S/C11H9NO/c13-11-6-9-5-8(7-1-2-7)3-4-10(9)12-11/h3-7H,1-2H2
InChIKeyHXIBFBOYAVEIQI-UHFFFAOYSA-N
XLogP0.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylindol-2-one?
The IUPAC name of 5-cyclopropylindol-2-one (CID 150498597) is 5-cyclopropylindol-2-one.
What is the SMILES notation for 5-cyclopropylindol-2-one?
The canonical SMILES for 5-cyclopropylindol-2-one is O=C1C=c2cc(C3CC3)ccc2=N1.
What is the InChIKey of 5-cyclopropylindol-2-one?
The InChIKey is HXIBFBOYAVEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-11-6-9-5-8(7-1-2-7)3-4-10(9)12-11/h3-7H,1-2H2.
What are the key properties of 5-cyclopropylindol-2-one?
5-cyclopropylindol-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylindol-2-one is sourced from PubChem (CID 150498597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).