CID 54579207

C13H12NO — CID 54579207

IUPAC—
SMILESC/C(=N\c1cccc(O)c1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H12NO/c1-10(11-5-2-3-6-11)14-12-7-4-8-13(15)9-12/h2-9,15H,1H3/b14-10+
InChIKeyRTPZRCBLGLXBDB-GXDHUFHOSA-N
MW198.24 g/mol
LogP2.89
Rot. Bonds2

About CID 54579207

CID 54579207 (PubChem CID 54579207) has the molecular formula C13H12NO and a molecular weight of 198.24 g/mol.

Molecular Properties

Compound NameCID 54579207
PubChem CID54579207
Molecular FormulaC13H12NO
Molecular Weight198.24 g/mol
Exact Mass198.09
IUPAC Name—
SMILESC/C(=N\c1cccc(O)c1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H12NO/c1-10(11-5-2-3-6-11)14-12-7-4-8-13(15)9-12/h2-9,15H,1H3/b14-10+
InChIKeyRTPZRCBLGLXBDB-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 54579207?
The IUPAC name of CID 54579207 (CID 54579207) is not available.
What is the SMILES notation for CID 54579207?
The canonical SMILES for CID 54579207 is C/C(=N\c1cccc(O)c1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 54579207?
The InChIKey is RTPZRCBLGLXBDB-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12NO/c1-10(11-5-2-3-6-11)14-12-7-4-8-13(15)9-12/h2-9,15H,1H3/b14-10+.
What are the key properties of CID 54579207?
CID 54579207 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 54579207 is sourced from PubChem (CID 54579207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).