CID 11270735

C20H25NO4Ru+2 — CID 11270735

IUPAC—
SMILESCO[C]1[CH][CH]C2([CH][C]1OC)CN(C)C(=O)/C2=C(\C)OC.[CH]1[CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C15H20NO4.C5H5.Ru/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)12(8-15)20-5;1-2-4-5-3-1;/h6-8H,9H2,1-5H3;1-5H;/q;;+2/b13-10-;;
InChIKeyKPAXLDJKUCQWEF-CAPVWHLOSA-N
MW444.49 g/mol
LogP2.37
Rot. Bonds3

About CID 11270735

CID 11270735 (PubChem CID 11270735) has the molecular formula C20H25NO4Ru+2 and a molecular weight of 444.49 g/mol.

Molecular Properties

Compound NameCID 11270735
PubChem CID11270735
Molecular FormulaC20H25NO4Ru+2
Molecular Weight444.49 g/mol
Exact Mass445.08
IUPAC Name—
SMILESCO[C]1[CH][CH]C2([CH][C]1OC)CN(C)C(=O)/C2=C(\C)OC.[CH]1[CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C15H20NO4.C5H5.Ru/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)12(8-15)20-5;1-2-4-5-3-1;/h6-8H,9H2,1-5H3;1-5H;/q;;+2/b13-10-;;
InChIKeyKPAXLDJKUCQWEF-CAPVWHLOSA-N
XLogP2.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 11270735 with MolForge

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

Launch Full Analysis

Related Compounds

CID 11270736
CID 11270736
CID 11293713
CID 11293713
CID 11293714
CID 11293714
CID 11441758
CID 11441758
CID 11441759
CID 11441759

Frequently Asked Questions

What is the IUPAC name of CID 11270735?
The IUPAC name of CID 11270735 (CID 11270735) is not available.
What is the SMILES notation for CID 11270735?
The canonical SMILES for CID 11270735 is CO[C]1[CH][CH]C2([CH][C]1OC)CN(C)C(=O)/C2=C(\C)OC.[CH]1[CH][CH][CH][CH]1.[Ru+2].
What is the InChIKey of CID 11270735?
The InChIKey is KPAXLDJKUCQWEF-CAPVWHLOSA-N. The full InChI is InChI=1S/C15H20NO4.C5H5.Ru/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)12(8-15)20-5;1-2-4-5-3-1;/h6-8H,9H2,1-5H3;1-5H;/q;;+2/b13-10-;;.
What are the key properties of CID 11270735?
CID 11270735 has a molecular weight of 444.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11270735 is sourced from PubChem (CID 11270735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).