(Z)-N-propan-2-yloxy-1-benzofuran-3-imine

C11H13NO2 — CID 59497735

IUPAC(Z)-N-propan-2-yloxy-1-benzofuran-3-imine
SMILESCC(C)O/N=C1\COc2ccccc21
InChIInChI=1S/C11H13NO2/c1-8(2)14-12-10-7-13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3/b12-10+
InChIKeyDMCVDODJOJXLLE-ZRDIBKRKSA-N
MW191.23 g/mol
LogP2.21
Rot. Bonds2

About (Z)-N-propan-2-yloxy-1-benzofuran-3-imine

(Z)-N-propan-2-yloxy-1-benzofuran-3-imine (PubChem CID 59497735) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (Z)-N-propan-2-yloxy-1-benzofuran-3-imine.

Molecular Properties

Compound Name(Z)-N-propan-2-yloxy-1-benzofuran-3-imine
PubChem CID59497735
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(Z)-N-propan-2-yloxy-1-benzofuran-3-imine
SMILESCC(C)O/N=C1\COc2ccccc21
InChIInChI=1S/C11H13NO2/c1-8(2)14-12-10-7-13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3/b12-10+
InChIKeyDMCVDODJOJXLLE-ZRDIBKRKSA-N
XLogP2.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-N-propan-2-yloxy-1-benzofuran-3-imine?
The IUPAC name of (Z)-N-propan-2-yloxy-1-benzofuran-3-imine (CID 59497735) is (Z)-N-propan-2-yloxy-1-benzofuran-3-imine.
What is the SMILES notation for (Z)-N-propan-2-yloxy-1-benzofuran-3-imine?
The canonical SMILES for (Z)-N-propan-2-yloxy-1-benzofuran-3-imine is CC(C)O/N=C1\COc2ccccc21.
What is the InChIKey of (Z)-N-propan-2-yloxy-1-benzofuran-3-imine?
The InChIKey is DMCVDODJOJXLLE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(2)14-12-10-7-13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3/b12-10+.
What are the key properties of (Z)-N-propan-2-yloxy-1-benzofuran-3-imine?
(Z)-N-propan-2-yloxy-1-benzofuran-3-imine has a molecular weight of 191.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yloxy-1-benzofuran-3-imine is sourced from PubChem (CID 59497735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).