N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine

C18H16N2O — CID 139525838

IUPACN-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine
SMILESC/C=C\c1c(/C=N/C)oc2c(-c3ccccn3)cccc12
InChIInChI=1S/C18H16N2O/c1-3-7-13-14-8-6-9-15(16-10-4-5-11-20-16)18(14)21-17(13)12-19-2/h3-12H,1-2H3/b7-3-,19-12+
InChIKeyZABHAOJUOZPDKT-FZFSQPPVSA-N
MW276.34 g/mol
LogP4.58
Rot. Bonds3

About N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine

N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine (PubChem CID 139525838) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine
PubChem CID139525838
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine
SMILESC/C=C\c1c(/C=N/C)oc2c(-c3ccccn3)cccc12
InChIInChI=1S/C18H16N2O/c1-3-7-13-14-8-6-9-15(16-10-4-5-11-20-16)18(14)21-17(13)12-19-2/h3-12H,1-2H3/b7-3-,19-12+
InChIKeyZABHAOJUOZPDKT-FZFSQPPVSA-N
XLogP4.58
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.58
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 N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine?
The IUPAC name of N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine (CID 139525838) is N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine.
What is the SMILES notation for N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine?
The canonical SMILES for N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine is C/C=C\c1c(/C=N/C)oc2c(-c3ccccn3)cccc12.
What is the InChIKey of N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine?
The InChIKey is ZABHAOJUOZPDKT-FZFSQPPVSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-7-13-14-8-6-9-15(16-10-4-5-11-20-16)18(14)21-17(13)12-19-2/h3-12H,1-2H3/b7-3-,19-12+.
What are the key properties of N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine?
N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine has a molecular weight of 276.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine is sourced from PubChem (CID 139525838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).