1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

C17H14N2O — CID 138698707

IUPAC1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C/C)c1cccc2c1oc1cccnc12
InChIInChI=1S/C17H14N2O/c1-3-10-18-14(4-2)12-7-5-8-13-16-15(20-17(12)13)9-6-11-19-16/h3-11H,2H2,1H3/b10-3-,18-14+
InChIKeyGHBCDNPBFGXHLN-KMCTZSNLSA-N
MW262.31 g/mol
LogP4.49
Rot. Bonds3

About 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 138698707) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID138698707
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C/C)c1cccc2c1oc1cccnc12
InChIInChI=1S/C17H14N2O/c1-3-10-18-14(4-2)12-7-5-8-13-16-15(20-17(12)13)9-6-11-19-16/h3-11H,2H2,1H3/b10-3-,18-14+
InChIKeyGHBCDNPBFGXHLN-KMCTZSNLSA-N
XLogP4.49
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 138698707) is 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C/C(=N\C=C/C)c1cccc2c1oc1cccnc12.
What is the InChIKey of 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is GHBCDNPBFGXHLN-KMCTZSNLSA-N. The full InChI is InChI=1S/C17H14N2O/c1-3-10-18-14(4-2)12-7-5-8-13-16-15(20-17(12)13)9-6-11-19-16/h3-11H,2H2,1H3/b10-3-,18-14+.
What are the key properties of 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 262.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1]benzofuro[3,2-b]pyridin-6-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 138698707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).