6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

C17H16N2O2 — CID 54408582

IUPAC6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(O)ccc2C1=Cc1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H16N2O2/c20-12-5-6-13-14(17(21)19-16(13)9-12)8-11-7-10-3-1-2-4-15(10)18-11/h5-9,18,20H,1-4H2,(H,19,21)
InChIKeyVSMPKCSXKUZMGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.09
Rot. Bonds1

About 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 54408582) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID54408582
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(O)ccc2C1=Cc1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H16N2O2/c20-12-5-6-13-14(17(21)19-16(13)9-12)8-11-7-10-3-1-2-4-15(10)18-11/h5-9,18,20H,1-4H2,(H,19,21)
InChIKeyVSMPKCSXKUZMGO-UHFFFAOYSA-N
XLogP3.09
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-carboxylic acid
CID 177410652
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
5-nitro-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57167088
N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 5309
(3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-4-carboxylic acid
CID 23301510
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-hydroxy-1H-indol-2-one
CID 16725932
(3Z)-5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;hydrochloride
CID 127036917
3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
CID 70338111
ethyl 3-[2-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 46846542
5-ethyl-3-[(3-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57029849
3-[(4,4-dimethyl-1,5,6,7-tetrahydroindol-2-yl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 57168808
CID 73212810
CID 73212810

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 54408582) is 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2cc(O)ccc2C1=Cc1cc2c([nH]1)CCCC2.
What is the InChIKey of 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is VSMPKCSXKUZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-12-5-6-13-14(17(21)19-16(13)9-12)8-11-7-10-3-1-2-4-15(10)18-11/h5-9,18,20H,1-4H2,(H,19,21).
What are the key properties of 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 54408582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).