1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron

C14H24FeO2 — CID 158478466

IUPAC1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
SMILESC1CCCC1.CC(=O)C1CCCC1C(C)=O.[Fe]
InChIInChI=1S/C9H14O2.C5H10.Fe/c1-6(10)8-4-3-5-9(8)7(2)11;1-2-4-5-3-1;/h8-9H,3-5H2,1-2H3;1-5H2;
InChIKeyRQQUDBOLLSYJJS-UHFFFAOYSA-N
MW280.19 g/mol
LogP3.53
Rot. Bonds2

About 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron

1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron (PubChem CID 158478466) has the molecular formula C14H24FeO2 and a molecular weight of 280.19 g/mol. Its IUPAC name is 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron.

Molecular Properties

Compound Name1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
PubChem CID158478466
Molecular FormulaC14H24FeO2
Molecular Weight280.19 g/mol
Exact Mass280.11
IUPAC Name1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
SMILESC1CCCC1.CC(=O)C1CCCC1C(C)=O.[Fe]
InChIInChI=1S/C9H14O2.C5H10.Fe/c1-6(10)8-4-3-5-9(8)7(2)11;1-2-4-5-3-1;/h8-9H,3-5H2,1-2H3;1-5H2;
InChIKeyRQQUDBOLLSYJJS-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
2-acetylcyclopentane-1-carbothioic S-acid
CID 139900215
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
1-(8-acetyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanone
CID 70178194
1-(2-bromocyclopentyl)ethanone
CID 68839604
1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
CID 144530099
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
1-[(1R,2R)-2-chlorocyclohexyl]ethanone
CID 130848700
1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
CID 93498894
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron?
The IUPAC name of 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron (CID 158478466) is 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron.
What is the SMILES notation for 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron?
The canonical SMILES for 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron is C1CCCC1.CC(=O)C1CCCC1C(C)=O.[Fe].
What is the InChIKey of 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron?
The InChIKey is RQQUDBOLLSYJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C5H10.Fe/c1-6(10)8-4-3-5-9(8)7(2)11;1-2-4-5-3-1;/h8-9H,3-5H2,1-2H3;1-5H2;.
What are the key properties of 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron?
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron has a molecular weight of 280.19 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron is sourced from PubChem (CID 158478466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).