chromium(2+);bis(cyclopenta-1,3-dien-1-amine)

C10H12CrN2 — CID 175973663

IUPACchromium(2+);bis(cyclopenta-1,3-dien-1-amine)
SMILESNc1ccc[cH-]1.Nc1ccc[cH-]1.[Cr+2]
InChIInChI=1S/2C5H6N.Cr/c2*6-5-3-1-2-4-5;/h2*1-4H,6H2;/q2*-1;+2
InChIKeyYGWAYJMWOSGVMI-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.97
Rot. Bonds

About chromium(2+);bis(cyclopenta-1,3-dien-1-amine)

chromium(2+);bis(cyclopenta-1,3-dien-1-amine) (PubChem CID 175973663) has the molecular formula C10H12CrN2 and a molecular weight of 212.22 g/mol. Its IUPAC name is chromium(2+);bis(cyclopenta-1,3-dien-1-amine).

Molecular Properties

Compound Namechromium(2+);bis(cyclopenta-1,3-dien-1-amine)
PubChem CID175973663
Molecular FormulaC10H12CrN2
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC Namechromium(2+);bis(cyclopenta-1,3-dien-1-amine)
SMILESNc1ccc[cH-]1.Nc1ccc[cH-]1.[Cr+2]
InChIInChI=1S/2C5H6N.Cr/c2*6-5-3-1-2-4-5;/h2*1-4H,6H2;/q2*-1;+2
InChIKeyYGWAYJMWOSGVMI-UHFFFAOYSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(cyclopenta-1,3-dien-1-amine)?
The IUPAC name of chromium(2+);bis(cyclopenta-1,3-dien-1-amine) (CID 175973663) is chromium(2+);bis(cyclopenta-1,3-dien-1-amine).
What is the SMILES notation for chromium(2+);bis(cyclopenta-1,3-dien-1-amine)?
The canonical SMILES for chromium(2+);bis(cyclopenta-1,3-dien-1-amine) is Nc1ccc[cH-]1.Nc1ccc[cH-]1.[Cr+2].
What is the InChIKey of chromium(2+);bis(cyclopenta-1,3-dien-1-amine)?
The InChIKey is YGWAYJMWOSGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6N.Cr/c2*6-5-3-1-2-4-5;/h2*1-4H,6H2;/q2*-1;+2.
What are the key properties of chromium(2+);bis(cyclopenta-1,3-dien-1-amine)?
chromium(2+);bis(cyclopenta-1,3-dien-1-amine) has a molecular weight of 212.22 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(cyclopenta-1,3-dien-1-amine) is sourced from PubChem (CID 175973663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).