CID 134994075

C9H13CoN2O2 — CID 134994075

IUPAC—
SMILESC[C@H](N=O)[C@@H](C)N=O.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C5H5.C4H8N2O2.Co/c1-2-4-5-3-1;1-3(5-7)4(2)6-8;/h1-5H;3-4H,1-2H3;/t;3-,4+;
InChIKeyWVEGQOLPHSIKFG-MBCNGAIMSA-N
MW240.15 g/mol
LogP2.61
Rot. Bonds3

About CID 134994075

CID 134994075 (PubChem CID 134994075) has the molecular formula C9H13CoN2O2 and a molecular weight of 240.15 g/mol.

Molecular Properties

Compound NameCID 134994075
PubChem CID134994075
Molecular FormulaC9H13CoN2O2
Molecular Weight240.15 g/mol
Exact Mass240.03
IUPAC Name—
SMILESC[C@H](N=O)[C@@H](C)N=O.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C5H5.C4H8N2O2.Co/c1-2-4-5-3-1;1-3(5-7)4(2)6-8;/h1-5H;3-4H,1-2H3;/t;3-,4+;
InChIKeyWVEGQOLPHSIKFG-MBCNGAIMSA-N
XLogP2.61
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 134994075?
The IUPAC name of CID 134994075 (CID 134994075) is not available.
What is the SMILES notation for CID 134994075?
The canonical SMILES for CID 134994075 is C[C@H](N=O)[C@@H](C)N=O.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 134994075?
The InChIKey is WVEGQOLPHSIKFG-MBCNGAIMSA-N. The full InChI is InChI=1S/C5H5.C4H8N2O2.Co/c1-2-4-5-3-1;1-3(5-7)4(2)6-8;/h1-5H;3-4H,1-2H3;/t;3-,4+;.
What are the key properties of CID 134994075?
CID 134994075 has a molecular weight of 240.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134994075 is sourced from PubChem (CID 134994075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).