2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol

C14H14N2O — CID 135437289

IUPAC2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H14N2O/c1-11(13-9-5-6-10-14(13)17)15-16-12-7-3-2-4-8-12/h2-10,16-17H,1H3/b15-11+
InChIKeyVPJDCAQEVSDRFN-RVDMUPIBSA-N
MW226.28 g/mol
LogP3.23
Rot. Bonds3

About 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol

2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol (PubChem CID 135437289) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol
PubChem CID135437289
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H14N2O/c1-11(13-9-5-6-10-14(13)17)15-16-12-7-3-2-4-8-12/h2-10,16-17H,1H3/b15-11+
InChIKeyVPJDCAQEVSDRFN-RVDMUPIBSA-N
XLogP3.23
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol (CID 135437289) is 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol is C/C(=N\Nc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol?
The InChIKey is VPJDCAQEVSDRFN-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(13-9-5-6-10-14(13)17)15-16-12-7-3-2-4-8-12/h2-10,16-17H,1H3/b15-11+.
What are the key properties of 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol?
2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol has a molecular weight of 226.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-anilino-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135437289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).