cyclopenta-1,3-diene;scandium

C5H6Sc — CID 158619793

IUPACcyclopenta-1,3-diene;scandium
SMILESC1=CCC=C1.[Sc]
InChIInChI=1S/C5H6.Sc/c1-2-4-5-3-1;/h1-4H,5H2;
InChIKeyHXVVKDLOSRCEKB-UHFFFAOYSA-N
MW111.06 g/mol
LogP1.50
Rot. Bonds

About cyclopenta-1,3-diene;scandium

cyclopenta-1,3-diene;scandium (PubChem CID 158619793) has the molecular formula C5H6Sc and a molecular weight of 111.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;scandium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;scandium
PubChem CID158619793
Molecular FormulaC5H6Sc
Molecular Weight111.06 g/mol
Exact Mass111.00
IUPAC Namecyclopenta-1,3-diene;scandium
SMILESC1=CCC=C1.[Sc]
InChIInChI=1S/C5H6.Sc/c1-2-4-5-3-1;/h1-4H,5H2;
InChIKeyHXVVKDLOSRCEKB-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.06
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopenta-1,3-diene
CID 159248657
cyclopenta-1,3-diene;osmium
CID 161133624
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
chromium;cyclopenta-1,3-diene
CID 158699246
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
(6E,9E,12Z)-cyclotetradeca-1,3,6,9,12-pentaene
CID 173030463
cyclopenta-1,3-diene;hafnium;dichloride
CID 174329736
cyclotetradeca-1,3,6,9,12-pentaene
CID 90993440
bis(cyclopenta-1,3-diene);samarium
CID 12780607

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;scandium?
The IUPAC name of cyclopenta-1,3-diene;scandium (CID 158619793) is cyclopenta-1,3-diene;scandium.
What is the SMILES notation for cyclopenta-1,3-diene;scandium?
The canonical SMILES for cyclopenta-1,3-diene;scandium is C1=CCC=C1.[Sc].
What is the InChIKey of cyclopenta-1,3-diene;scandium?
The InChIKey is HXVVKDLOSRCEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.Sc/c1-2-4-5-3-1;/h1-4H,5H2;.
What are the key properties of cyclopenta-1,3-diene;scandium?
cyclopenta-1,3-diene;scandium has a molecular weight of 111.06 g/mol, XLogP of 1.50, 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;scandium is sourced from PubChem (CID 158619793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).