(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one

C15H15NO2 — CID 11207213

IUPAC(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C1CCCCC1=O
InChIInChI=1S/C15H15NO2/c17-14-8-4-1-5-10(14)9-12-11-6-2-3-7-13(11)16-15(12)18/h2-3,6-7,9-10H,1,4-5,8H2,(H,16,18)/b12-9-
InChIKeyQKBHFCNWDWYNSX-XFXZXTDPSA-N
MW241.29 g/mol
LogP2.78
Rot. Bonds1

About (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one

(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one (PubChem CID 11207213) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one
PubChem CID11207213
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C1CCCCC1=O
InChIInChI=1S/C15H15NO2/c17-14-8-4-1-5-10(14)9-12-11-6-2-3-7-13(11)16-15(12)18/h2-3,6-7,9-10H,1,4-5,8H2,(H,16,18)/b12-9-
InChIKeyQKBHFCNWDWYNSX-XFXZXTDPSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
CID 154701298
3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one
CID 70213917
3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one
CID 70211978
3-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylidene]-1H-indol-2-one
CID 11861361
(3E)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylidene]-1H-indol-2-one
CID 99935886
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
CID 70338111
3-[(1R,2R)-2-[(2-oxo-1H-indol-3-ylidene)amino]cyclohexyl]imino-1H-indol-2-one
CID 139084077
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
3-cyclohexylimino-1H-indol-2-one
CID 135536870
(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione
CID 54671701

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one (CID 11207213) is (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/C1CCCCC1=O.
What is the InChIKey of (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one?
The InChIKey is QKBHFCNWDWYNSX-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-8-4-1-5-10(14)9-12-11-6-2-3-7-13(11)16-15(12)18/h2-3,6-7,9-10H,1,4-5,8H2,(H,16,18)/b12-9-.
What are the key properties of (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 11207213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).