[(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium

C12H21CrNO2 — CID 10894719

IUPAC[(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium
SMILESCCC/C(=C\C(=[Cr])OCC)N1CCOCC1
InChIInChI=1S/C12H21NO2.Cr/c1-3-5-12(6-9-14-4-2)13-7-10-15-11-8-13;/h6H,3-5,7-8,10-11H2,1-2H3;/b12-6+;
InChIKeyCRQMPXMVRWYYSG-WXIWBVQFSA-N
MW263.30 g/mol
LogP1.72
Rot. Bonds6

About [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium

[(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium (PubChem CID 10894719) has the molecular formula C12H21CrNO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium.

Molecular Properties

Compound Name[(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium
PubChem CID10894719
Molecular FormulaC12H21CrNO2
Molecular Weight263.30 g/mol
Exact Mass263.10
IUPAC Name[(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium
SMILESCCC/C(=C\C(=[Cr])OCC)N1CCOCC1
InChIInChI=1S/C12H21NO2.Cr/c1-3-5-12(6-9-14-4-2)13-7-10-15-11-8-13;/h6H,3-5,7-8,10-11H2,1-2H3;/b12-6+;
InChIKeyCRQMPXMVRWYYSG-WXIWBVQFSA-N
XLogP1.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium?
The IUPAC name of [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium (CID 10894719) is [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium.
What is the SMILES notation for [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium?
The canonical SMILES for [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium is CCC/C(=C\C(=[Cr])OCC)N1CCOCC1.
What is the InChIKey of [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium?
The InChIKey is CRQMPXMVRWYYSG-WXIWBVQFSA-N. The full InChI is InChI=1S/C12H21NO2.Cr/c1-3-5-12(6-9-14-4-2)13-7-10-15-11-8-13;/h6H,3-5,7-8,10-11H2,1-2H3;/b12-6+;.
What are the key properties of [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium?
[(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium has a molecular weight of 263.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-3-morpholin-4-ylhex-2-enylidene]chromium is sourced from PubChem (CID 10894719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).