1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine

C18H16N2 — CID 118081907

IUPAC1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H16N2/c1-2-12-19-13-15-14-20(16-8-4-3-5-9-16)18-11-7-6-10-17(15)18/h2-14H,1H3/b12-2-,19-13+
InChIKeyZUCCBUJYGOQTFJ-QRIQGGMPSA-N
MW260.34 g/mol
LogP4.58
Rot. Bonds3

About 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine

1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine (PubChem CID 118081907) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

Compound Name1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine
PubChem CID118081907
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H16N2/c1-2-12-19-13-15-14-20(16-8-4-3-5-9-16)18-11-7-6-10-17(15)18/h2-14H,1H3/b12-2-,19-13+
InChIKeyZUCCBUJYGOQTFJ-QRIQGGMPSA-N
XLogP4.58
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine?
The IUPAC name of 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine (CID 118081907) is 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine.
What is the SMILES notation for 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine?
The canonical SMILES for 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine is C/C=C\N=C\c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine?
The InChIKey is ZUCCBUJYGOQTFJ-QRIQGGMPSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-12-19-13-15-14-20(16-8-4-3-5-9-16)18-11-7-6-10-17(15)18/h2-14H,1H3/b12-2-,19-13+.
What are the key properties of 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine?
1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 260.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 118081907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).