1-(furan-2-yl)-N-phenylmethanimine oxide

C11H9NO2 — CID 717510

IUPAC1-(furan-2-yl)-N-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccco1)c1ccccc1
InChIInChI=1S/C11H9NO2/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKeyWQJCQUFEPWCYAW-XFXZXTDPSA-N
MW187.20 g/mol
LogP2.54
Rot. Bonds2

About 1-(furan-2-yl)-N-phenylmethanimine oxide

1-(furan-2-yl)-N-phenylmethanimine oxide (PubChem CID 717510) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(furan-2-yl)-N-phenylmethanimine oxide
PubChem CID717510
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-(furan-2-yl)-N-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccco1)c1ccccc1
InChIInChI=1S/C11H9NO2/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKeyWQJCQUFEPWCYAW-XFXZXTDPSA-N
XLogP2.54
TPSA39.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(furan-2-yl)-N-phenylmethanimine oxide (CID 717510) is 1-(furan-2-yl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(furan-2-yl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(furan-2-yl)-N-phenylmethanimine oxide is [O-]/[N+](=C\c1ccco1)c1ccccc1.
What is the InChIKey of 1-(furan-2-yl)-N-phenylmethanimine oxide?
The InChIKey is WQJCQUFEPWCYAW-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H9NO2/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9H/b12-9-.
What are the key properties of 1-(furan-2-yl)-N-phenylmethanimine oxide?
1-(furan-2-yl)-N-phenylmethanimine oxide has a molecular weight of 187.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-phenylmethanimine oxide is sourced from PubChem (CID 717510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).