CID 134902489

C13H15Sc — CID 134902489

IUPAC—
SMILES[CH2][CH][CH2].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Sc]
InChIInChI=1S/2C5H5.C3H5.Sc/c2*1-2-4-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;
InChIKeyZXWJKGLYJDKSJV-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.90
Rot. Bonds

About CID 134902489

CID 134902489 (PubChem CID 134902489) has the molecular formula C13H15Sc and a molecular weight of 216.22 g/mol.

Molecular Properties

Compound NameCID 134902489
PubChem CID134902489
Molecular FormulaC13H15Sc
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name—
SMILES[CH2][CH][CH2].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Sc]
InChIInChI=1S/2C5H5.C3H5.Sc/c2*1-2-4-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;
InChIKeyZXWJKGLYJDKSJV-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902489?
The IUPAC name of CID 134902489 (CID 134902489) is not available.
What is the SMILES notation for CID 134902489?
The canonical SMILES for CID 134902489 is [CH2][CH][CH2].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Sc].
What is the InChIKey of CID 134902489?
The InChIKey is ZXWJKGLYJDKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C3H5.Sc/c2*1-2-4-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;.
What are the key properties of CID 134902489?
CID 134902489 has a molecular weight of 216.22 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902489 is sourced from PubChem (CID 134902489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).