CID 134888575

C12H15MnO3 — CID 134888575

IUPAC—
SMILESCCOC(=[Mn])CC.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1
InChIInChI=1S/C5H10O.C5H5.2CO.Mn/c1-3-5-6-4-2;1-2-4-5-3-1;2*1-2;/h3-4H2,1-2H3;1-5H;;;
InChIKeyFQWGKVHFDFYVOM-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.35
Rot. Bonds3

About CID 134888575

CID 134888575 (PubChem CID 134888575) has the molecular formula C12H15MnO3 and a molecular weight of 262.19 g/mol.

Molecular Properties

Compound NameCID 134888575
PubChem CID134888575
Molecular FormulaC12H15MnO3
Molecular Weight262.19 g/mol
Exact Mass262.04
IUPAC Name—
SMILESCCOC(=[Mn])CC.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1
InChIInChI=1S/C5H10O.C5H5.2CO.Mn/c1-3-5-6-4-2;1-2-4-5-3-1;2*1-2;/h3-4H2,1-2H3;1-5H;;;
InChIKeyFQWGKVHFDFYVOM-UHFFFAOYSA-N
XLogP2.35
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze CID 134888575 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134888575?
The IUPAC name of CID 134888575 (CID 134888575) is not available.
What is the SMILES notation for CID 134888575?
The canonical SMILES for CID 134888575 is CCOC(=[Mn])CC.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.
What is the InChIKey of CID 134888575?
The InChIKey is FQWGKVHFDFYVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C5H5.2CO.Mn/c1-3-5-6-4-2;1-2-4-5-3-1;2*1-2;/h3-4H2,1-2H3;1-5H;;;.
What are the key properties of CID 134888575?
CID 134888575 has a molecular weight of 262.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888575 is sourced from PubChem (CID 134888575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).