CID 135049728

C13H15Co — CID 135049728

IUPAC—
SMILESC1=C[C]2C=CC=C2C=C1.C=C.C=C.[Co]
InChIInChI=1S/C9H7.2C2H4.Co/c1-2-5-9-7-3-6-8(9)4-1;2*1-2;/h1-7H;2*1-2H2;
InChIKeyIERPQFOERRTLLP-UHFFFAOYSA-N
MW230.20 g/mol
LogP3.78
Rot. Bonds

About CID 135049728

CID 135049728 (PubChem CID 135049728) has the molecular formula C13H15Co and a molecular weight of 230.20 g/mol.

Molecular Properties

Compound NameCID 135049728
PubChem CID135049728
Molecular FormulaC13H15Co
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC Name—
SMILESC1=C[C]2C=CC=C2C=C1.C=C.C=C.[Co]
InChIInChI=1S/C9H7.2C2H4.Co/c1-2-5-9-7-3-6-8(9)4-1;2*1-2;/h1-7H;2*1-2H2;
InChIKeyIERPQFOERRTLLP-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135049728?
The IUPAC name of CID 135049728 (CID 135049728) is not available.
What is the SMILES notation for CID 135049728?
The canonical SMILES for CID 135049728 is C1=C[C]2C=CC=C2C=C1.C=C.C=C.[Co].
What is the InChIKey of CID 135049728?
The InChIKey is IERPQFOERRTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.2C2H4.Co/c1-2-5-9-7-3-6-8(9)4-1;2*1-2;/h1-7H;2*1-2H2;.
What are the key properties of CID 135049728?
CID 135049728 has a molecular weight of 230.20 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135049728 is sourced from PubChem (CID 135049728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).