cyclopenta-1,3-diene;molybdenum dihydride;propane

C11H19Mo-3 — CID 154396114

IUPACcyclopenta-1,3-diene;molybdenum dihydride;propane
SMILESC[CH-]C.C[CH-]C.[C-]1=CC=CC1.[Mo]
InChIInChI=1S/C5H5.2C3H7.Mo/c1-2-4-5-3-1;2*1-3-2;/h1-3H,4H2;2*3H,1-2H3;/q3*-1;
InChIKeyULWWCCWZGHWGJV-UHFFFAOYSA-N
MW247.21 g/mol
LogP3.76
Rot. Bonds

About cyclopenta-1,3-diene;molybdenum dihydride;propane

cyclopenta-1,3-diene;molybdenum dihydride;propane (PubChem CID 154396114) has the molecular formula C11H19Mo-3 and a molecular weight of 247.21 g/mol. Its IUPAC name is cyclopenta-1,3-diene;molybdenum dihydride;propane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;molybdenum dihydride;propane
PubChem CID154396114
Molecular FormulaC11H19Mo-3
Molecular Weight247.21 g/mol
Exact Mass249.06
IUPAC Namecyclopenta-1,3-diene;molybdenum dihydride;propane
SMILESC[CH-]C.C[CH-]C.[C-]1=CC=CC1.[Mo]
InChIInChI=1S/C5H5.2C3H7.Mo/c1-2-4-5-3-1;2*1-3-2;/h1-3H,4H2;2*3H,1-2H3;/q3*-1;
InChIKeyULWWCCWZGHWGJV-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 53.76
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 cyclopenta-1,3-diene;molybdenum dihydride;propane?
The IUPAC name of cyclopenta-1,3-diene;molybdenum dihydride;propane (CID 154396114) is cyclopenta-1,3-diene;molybdenum dihydride;propane.
What is the SMILES notation for cyclopenta-1,3-diene;molybdenum dihydride;propane?
The canonical SMILES for cyclopenta-1,3-diene;molybdenum dihydride;propane is C[CH-]C.C[CH-]C.[C-]1=CC=CC1.[Mo].
What is the InChIKey of cyclopenta-1,3-diene;molybdenum dihydride;propane?
The InChIKey is ULWWCCWZGHWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C3H7.Mo/c1-2-4-5-3-1;2*1-3-2;/h1-3H,4H2;2*3H,1-2H3;/q3*-1;.
What are the key properties of cyclopenta-1,3-diene;molybdenum dihydride;propane?
cyclopenta-1,3-diene;molybdenum dihydride;propane has a molecular weight of 247.21 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;molybdenum dihydride;propane is sourced from PubChem (CID 154396114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).