2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one

C20H13NO2 — CID 155935668

IUPAC2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
SMILESO=C1c2cccc3cccc(c23)C1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H13NO2/c22-19-14-8-3-5-12-6-4-9-15(18(12)14)20(19,23)16-11-21-17-10-2-1-7-13(16)17/h1-11,21,23H
InChIKeySECRHKWQWBCECX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.75
Rot. Bonds1

About 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one

2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one (PubChem CID 155935668) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one.

Molecular Properties

Compound Name2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
PubChem CID155935668
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
SMILESO=C1c2cccc3cccc(c23)C1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H13NO2/c22-19-14-8-3-5-12-6-4-9-15(18(12)14)20(19,23)16-11-21-17-10-2-1-7-13(16)17/h1-11,21,23H
InChIKeySECRHKWQWBCECX-UHFFFAOYSA-N
XLogP3.75
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
2,2-dihydroxyphenalene-1,3-dione
CID 1042814
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
27,27-bis(1H-indol-3-yl)-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 139236776
3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
CID 53348525
5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one
CID 91095782
(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one
CID 135032572
3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 13284375
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 7393991
3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 118710075
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one?
The IUPAC name of 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one (CID 155935668) is 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one.
What is the SMILES notation for 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one?
The canonical SMILES for 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one is O=C1c2cccc3cccc(c23)C1(O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one?
The InChIKey is SECRHKWQWBCECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-14-8-3-5-12-6-4-9-15(18(12)14)20(19,23)16-11-21-17-10-2-1-7-13(16)17/h1-11,21,23H.
What are the key properties of 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one?
2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one has a molecular weight of 299.33 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one is sourced from PubChem (CID 155935668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).