(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one

C18H21NO2 — CID 25149191

IUPAC(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one
SMILESCC1CCC(C(C)C)C(=O)/C1=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C18H21NO2/c1-10(2)12-9-8-11(3)15(17(12)20)16-13-6-4-5-7-14(13)19-18(16)21/h4-7,10-12H,8-9H2,1-3H3,(H,19,21)/b16-15+
InChIKeyZKKPLKBTKTWWBV-FOCLMDBBSA-N
MW283.37 g/mol
LogP3.66
Rot. Bonds1

About (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one

(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one (PubChem CID 25149191) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one
PubChem CID25149191
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one
SMILESCC1CCC(C(C)C)C(=O)/C1=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C18H21NO2/c1-10(2)12-9-8-11(3)15(17(12)20)16-13-6-4-5-7-14(13)19-18(16)21/h4-7,10-12H,8-9H2,1-3H3,(H,19,21)/b16-15+
InChIKeyZKKPLKBTKTWWBV-FOCLMDBBSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.66
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

(3E)-3-(5-tert-butyl-2-oxocyclohexylidene)-1H-indol-2-one
CID 6166068
(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
CID 10353181
(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one
CID 163662851
(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one
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(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 71268355
(6R)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one
CID 67524387
1H-indole-2,3-dione;methylsulfinylmethane
CID 89487830
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
CID 135582235
2-ethylidene-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 72637375
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one (CID 25149191) is (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one is CC1CCC(C(C)C)C(=O)/C1=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one?
The InChIKey is ZKKPLKBTKTWWBV-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H21NO2/c1-10(2)12-9-8-11(3)15(17(12)20)16-13-6-4-5-7-14(13)19-18(16)21/h4-7,10-12H,8-9H2,1-3H3,(H,19,21)/b16-15+.
What are the key properties of (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one?
(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one is sourced from PubChem (CID 25149191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).