ethylidenechromium;pentane-2,4-dione

C7H12CrO2 — CID 175183732

IUPACethylidenechromium;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.CC=[Cr]
InChIInChI=1S/C5H8O2.C2H4.Cr/c1-4(6)3-5(2)7;1-2;/h3H2,1-2H3;1H,2H3;
InChIKeyPTSPSGKOVVOFGZ-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.91
Rot. Bonds2

About ethylidenechromium;pentane-2,4-dione

ethylidenechromium;pentane-2,4-dione (PubChem CID 175183732) has the molecular formula C7H12CrO2 and a molecular weight of 180.17 g/mol. Its IUPAC name is ethylidenechromium;pentane-2,4-dione.

Molecular Properties

Compound Nameethylidenechromium;pentane-2,4-dione
PubChem CID175183732
Molecular FormulaC7H12CrO2
Molecular Weight180.17 g/mol
Exact Mass180.02
IUPAC Nameethylidenechromium;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.CC=[Cr]
InChIInChI=1S/C5H8O2.C2H4.Cr/c1-4(6)3-5(2)7;1-2;/h3H2,1-2H3;1H,2H3;
InChIKeyPTSPSGKOVVOFGZ-UHFFFAOYSA-N
XLogP0.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidenechromium;pentane-2,4-dione?
The IUPAC name of ethylidenechromium;pentane-2,4-dione (CID 175183732) is ethylidenechromium;pentane-2,4-dione.
What is the SMILES notation for ethylidenechromium;pentane-2,4-dione?
The canonical SMILES for ethylidenechromium;pentane-2,4-dione is CC(=O)CC(C)=O.CC=[Cr].
What is the InChIKey of ethylidenechromium;pentane-2,4-dione?
The InChIKey is PTSPSGKOVVOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H4.Cr/c1-4(6)3-5(2)7;1-2;/h3H2,1-2H3;1H,2H3;.
What are the key properties of ethylidenechromium;pentane-2,4-dione?
ethylidenechromium;pentane-2,4-dione has a molecular weight of 180.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenechromium;pentane-2,4-dione is sourced from PubChem (CID 175183732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).