carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone

C14H14CoO3+ — CID 23229319

IUPACcarbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone
SMILESC1CCCC1.O=[C-]c1ccccc1[C-]=O.[C-]#[O+].[Co+3]
InChIInChI=1S/C8H4O2.C5H10.CO.Co/c9-5-7-3-1-2-4-8(7)6-10;1-2-4-5-3-1;1-2;/h1-4H;1-5H2;;/q-2;;;+3
InChIKeyBLNIKMFJBQGIMH-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.51
Rot. Bonds2

About carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone

carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone (PubChem CID 23229319) has the molecular formula C14H14CoO3+ and a molecular weight of 289.20 g/mol. Its IUPAC name is carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone.

Molecular Properties

Compound Namecarbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone
PubChem CID23229319
Molecular FormulaC14H14CoO3+
Molecular Weight289.20 g/mol
Exact Mass289.03
IUPAC Namecarbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone
SMILESC1CCCC1.O=[C-]c1ccccc1[C-]=O.[C-]#[O+].[Co+3]
InChIInChI=1S/C8H4O2.C5H10.CO.Co/c9-5-7-3-1-2-4-8(7)6-10;1-2-4-5-3-1;1-2;/h1-4H;1-5H2;;/q-2;;;+3
InChIKeyBLNIKMFJBQGIMH-UHFFFAOYSA-N
XLogP2.51
TPSA54.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone?
The IUPAC name of carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone (CID 23229319) is carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone.
What is the SMILES notation for carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone?
The canonical SMILES for carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone is C1CCCC1.O=[C-]c1ccccc1[C-]=O.[C-]#[O+].[Co+3].
What is the InChIKey of carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone?
The InChIKey is BLNIKMFJBQGIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O2.C5H10.CO.Co/c9-5-7-3-1-2-4-8(7)6-10;1-2-4-5-3-1;1-2;/h1-4H;1-5H2;;/q-2;;;+3.
What are the key properties of carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone?
carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone has a molecular weight of 289.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone is sourced from PubChem (CID 23229319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).