CID 54579209

C13H12NO — CID 54579209

IUPAC—
SMILESC/C(=N\c1ccc(O)cc1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H12NO/c1-10(11-4-2-3-5-11)14-12-6-8-13(15)9-7-12/h2-9,15H,1H3/b14-10+
InChIKeyBLNFASNRWVRJSY-GXDHUFHOSA-N
MW198.24 g/mol
LogP2.89
Rot. Bonds2

About CID 54579209

CID 54579209 (PubChem CID 54579209) has the molecular formula C13H12NO and a molecular weight of 198.24 g/mol.

Molecular Properties

Compound NameCID 54579209
PubChem CID54579209
Molecular FormulaC13H12NO
Molecular Weight198.24 g/mol
Exact Mass198.09
IUPAC Name—
SMILESC/C(=N\c1ccc(O)cc1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H12NO/c1-10(11-4-2-3-5-11)14-12-6-8-13(15)9-7-12/h2-9,15H,1H3/b14-10+
InChIKeyBLNFASNRWVRJSY-GXDHUFHOSA-N
XLogP2.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54579209?
The IUPAC name of CID 54579209 (CID 54579209) is not available.
What is the SMILES notation for CID 54579209?
The canonical SMILES for CID 54579209 is C/C(=N\c1ccc(O)cc1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 54579209?
The InChIKey is BLNFASNRWVRJSY-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12NO/c1-10(11-4-2-3-5-11)14-12-6-8-13(15)9-7-12/h2-9,15H,1H3/b14-10+.
What are the key properties of CID 54579209?
CID 54579209 has a molecular weight of 198.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54579209 is sourced from PubChem (CID 54579209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).