(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine

C17H15NO — CID 89209386

IUPAC(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine
SMILESC=C(O/N=C1\CCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H15NO/c1-13(14-7-3-2-4-8-14)19-18-17-12-11-15-9-5-6-10-16(15)17/h2-10H,1,11-12H2/b18-17+
InChIKeyPAPZTBGLWRVNFN-ISLYRVAYSA-N
MW249.31 g/mol
LogP4.02
Rot. Bonds3

About (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine

(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine (PubChem CID 89209386) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine
PubChem CID89209386
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine
SMILESC=C(O/N=C1\CCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H15NO/c1-13(14-7-3-2-4-8-14)19-18-17-12-11-15-9-5-6-10-16(15)17/h2-10H,1,11-12H2/b18-17+
InChIKeyPAPZTBGLWRVNFN-ISLYRVAYSA-N
XLogP4.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine (CID 89209386) is (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine is C=C(O/N=C1\CCc2ccccc21)c1ccccc1.
What is the InChIKey of (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine?
The InChIKey is PAPZTBGLWRVNFN-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13(14-7-3-2-4-8-14)19-18-17-12-11-15-9-5-6-10-16(15)17/h2-10H,1,11-12H2/b18-17+.
What are the key properties of (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine?
(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine has a molecular weight of 249.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine is sourced from PubChem (CID 89209386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).