methylbenzene;praseodymium

C7H7Pr- — CID 59896436

IUPACmethylbenzene;praseodymium
SMILESCc1[c-]cccc1.[Pr]
InChIInChI=1S/C7H7.Pr/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;
InChIKeySTTYUPNOIVRXKA-UHFFFAOYSA-N
MW232.04 g/mol
LogP1.80
Rot. Bonds

About methylbenzene;praseodymium

methylbenzene;praseodymium (PubChem CID 59896436) has the molecular formula C7H7Pr- and a molecular weight of 232.04 g/mol. Its IUPAC name is methylbenzene;praseodymium.

Molecular Properties

Compound Namemethylbenzene;praseodymium
PubChem CID59896436
Molecular FormulaC7H7Pr-
Molecular Weight232.04 g/mol
Exact Mass231.96
IUPAC Namemethylbenzene;praseodymium
SMILESCc1[c-]cccc1.[Pr]
InChIInChI=1S/C7H7.Pr/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;
InChIKeySTTYUPNOIVRXKA-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 methylbenzene;praseodymium?
The IUPAC name of methylbenzene;praseodymium (CID 59896436) is methylbenzene;praseodymium.
What is the SMILES notation for methylbenzene;praseodymium?
The canonical SMILES for methylbenzene;praseodymium is Cc1[c-]cccc1.[Pr].
What is the InChIKey of methylbenzene;praseodymium?
The InChIKey is STTYUPNOIVRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Pr/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;.
What are the key properties of methylbenzene;praseodymium?
methylbenzene;praseodymium has a molecular weight of 232.04 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylbenzene;praseodymium is sourced from PubChem (CID 59896436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).