cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)

C19H25FeNO+2 — CID 154701298

IUPACcyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
SMILESC1CCCC1.O=C1Nc2ccccc2C1=CC1CCCC1.[Fe+2]
InChIInChI=1S/C14H15NO.C5H10.Fe/c16-14-12(9-10-5-1-2-6-10)11-7-3-4-8-13(11)15-14;1-2-4-5-3-1;/h3-4,7-10H,1-2,5-6H2,(H,15,16);1-5H2;/q;;+2
InChIKeyJGKCUURLEMXRGX-UHFFFAOYSA-N
MW339.26 g/mol
LogP5.16
Rot. Bonds1

About cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)

cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+) (PubChem CID 154701298) has the molecular formula C19H25FeNO+2 and a molecular weight of 339.26 g/mol. Its IUPAC name is cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+).

Molecular Properties

Compound Namecyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
PubChem CID154701298
Molecular FormulaC19H25FeNO+2
Molecular Weight339.26 g/mol
Exact Mass339.13
IUPAC Namecyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
SMILESC1CCCC1.O=C1Nc2ccccc2C1=CC1CCCC1.[Fe+2]
InChIInChI=1S/C14H15NO.C5H10.Fe/c16-14-12(9-10-5-1-2-6-10)11-7-3-4-8-13(11)15-14;1-2-4-5-3-1;/h3-4,7-10H,1-2,5-6H2,(H,15,16);1-5H2;/q;;+2
InChIKeyJGKCUURLEMXRGX-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione
CID 54671701
(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one
CID 11207213
3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one
CID 70213917
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
(3E)-5-(4-chloroanilino)-3-(cyclohexylmethylidene)-1H-indol-2-one
CID 155529841
3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one
CID 70211978
3-cyclohexylimino-1H-indol-2-one
CID 135536870
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
CID 162648327
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892

Frequently Asked Questions

What is the IUPAC name of cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)?
The IUPAC name of cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+) (CID 154701298) is cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+).
What is the SMILES notation for cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)?
The canonical SMILES for cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+) is C1CCCC1.O=C1Nc2ccccc2C1=CC1CCCC1.[Fe+2].
What is the InChIKey of cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)?
The InChIKey is JGKCUURLEMXRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C5H10.Fe/c16-14-12(9-10-5-1-2-6-10)11-7-3-4-8-13(11)15-14;1-2-4-5-3-1;/h3-4,7-10H,1-2,5-6H2,(H,15,16);1-5H2;/q;;+2.
What are the key properties of cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)?
cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+) has a molecular weight of 339.26 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+) is sourced from PubChem (CID 154701298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).