indol-2-one;1H-phenalene

C21H15NO — CID 67394127

IUPACindol-2-one;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.O=C1C=c2ccccc2=N1
InChIInChI=1S/C13H10.C8H5NO/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;10-8-5-6-3-1-2-4-7(6)9-8/h1-8H,9H2;1-5H
InChIKeyZVOAFYYFIDNKDZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.04
Rot. Bonds

About indol-2-one;1H-phenalene

indol-2-one;1H-phenalene (PubChem CID 67394127) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is indol-2-one;1H-phenalene.

Molecular Properties

Compound Nameindol-2-one;1H-phenalene
PubChem CID67394127
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Nameindol-2-one;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.O=C1C=c2ccccc2=N1
InChIInChI=1S/C13H10.C8H5NO/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;10-8-5-6-3-1-2-4-7(6)9-8/h1-8H,9H2;1-5H
InChIKeyZVOAFYYFIDNKDZ-UHFFFAOYSA-N
XLogP3.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of indol-2-one;1H-phenalene?
The IUPAC name of indol-2-one;1H-phenalene (CID 67394127) is indol-2-one;1H-phenalene.
What is the SMILES notation for indol-2-one;1H-phenalene?
The canonical SMILES for indol-2-one;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;1H-phenalene?
The InChIKey is ZVOAFYYFIDNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C8H5NO/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;10-8-5-6-3-1-2-4-7(6)9-8/h1-8H,9H2;1-5H.
What are the key properties of indol-2-one;1H-phenalene?
indol-2-one;1H-phenalene has a molecular weight of 297.36 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-one;1H-phenalene is sourced from PubChem (CID 67394127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).