chromium(3+);tris(pyrrol-1-ide)

C12H12CrN3 — CID 25031983

IUPACchromium(3+);tris(pyrrol-1-ide)
SMILES[Cr+3].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/3C4H4N.Cr/c3*1-2-4-5-3-1;/h3*1-4H;/q3*-1;+3
InChIKeySCCNXKACLAJZAP-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.93
Rot. Bonds

About chromium(3+);tris(pyrrol-1-ide)

chromium(3+);tris(pyrrol-1-ide) (PubChem CID 25031983) has the molecular formula C12H12CrN3 and a molecular weight of 250.25 g/mol. Its IUPAC name is chromium(3+);tris(pyrrol-1-ide).

Molecular Properties

Compound Namechromium(3+);tris(pyrrol-1-ide)
PubChem CID25031983
Molecular FormulaC12H12CrN3
Molecular Weight250.25 g/mol
Exact Mass250.04
IUPAC Namechromium(3+);tris(pyrrol-1-ide)
SMILES[Cr+3].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/3C4H4N.Cr/c3*1-2-4-5-3-1;/h3*1-4H;/q3*-1;+3
InChIKeySCCNXKACLAJZAP-UHFFFAOYSA-N
XLogP1.93
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(pyrrol-1-ide)?
The IUPAC name of chromium(3+);tris(pyrrol-1-ide) (CID 25031983) is chromium(3+);tris(pyrrol-1-ide).
What is the SMILES notation for chromium(3+);tris(pyrrol-1-ide)?
The canonical SMILES for chromium(3+);tris(pyrrol-1-ide) is [Cr+3].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of chromium(3+);tris(pyrrol-1-ide)?
The InChIKey is SCCNXKACLAJZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H4N.Cr/c3*1-2-4-5-3-1;/h3*1-4H;/q3*-1;+3.
What are the key properties of chromium(3+);tris(pyrrol-1-ide)?
chromium(3+);tris(pyrrol-1-ide) has a molecular weight of 250.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(pyrrol-1-ide) is sourced from PubChem (CID 25031983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).