dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one

C12H20Cl2CoN2O2 — CID 140751594

IUPACdichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=O)C/C(C)=N/CC/N=C(\C)CC(C)=O.Cl[Co]Cl
InChIInChI=1S/C12H20N2O2.2ClH.Co/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;;;/h5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b13-9+,14-10+;;;
InChIKeyYCRVOIUKXIFAQR-BMEOSKMQSA-L
MW354.14 g/mol
LogP3.24
Rot. Bonds7

About dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one

dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one (PubChem CID 140751594) has the molecular formula C12H20Cl2CoN2O2 and a molecular weight of 354.14 g/mol. Its IUPAC name is dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.

Molecular Properties

Compound Namedichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
PubChem CID140751594
Molecular FormulaC12H20Cl2CoN2O2
Molecular Weight354.14 g/mol
Exact Mass353.02
IUPAC Namedichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=O)C/C(C)=N/CC/N=C(\C)CC(C)=O.Cl[Co]Cl
InChIInChI=1S/C12H20N2O2.2ClH.Co/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;;;/h5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b13-9+,14-10+;;;
InChIKeyYCRVOIUKXIFAQR-BMEOSKMQSA-L
XLogP3.24
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The IUPAC name of dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one (CID 140751594) is dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.
What is the SMILES notation for dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The canonical SMILES for dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one is CC(=O)C/C(C)=N/CC/N=C(\C)CC(C)=O.Cl[Co]Cl.
What is the InChIKey of dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The InChIKey is YCRVOIUKXIFAQR-BMEOSKMQSA-L. The full InChI is InChI=1S/C12H20N2O2.2ClH.Co/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;;;/h5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b13-9+,14-10+;;;.
What are the key properties of dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one has a molecular weight of 354.14 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one is sourced from PubChem (CID 140751594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).