(E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine

C13H15NO2 — CID 134861587

IUPAC(E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine
SMILESCC=CO/N=C1\CCc2cc(OC)ccc21
InChIInChI=1S/C13H15NO2/c1-3-8-16-14-13-7-4-10-9-11(15-2)5-6-12(10)13/h3,5-6,8-9H,4,7H2,1-2H3/b8-3?,14-13+
InChIKeyXBKRCDRRJMJBHS-GQJBSQIPSA-N
MW217.27 g/mol
LogP2.90
Rot. Bonds3

About (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine

(E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine (PubChem CID 134861587) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine
PubChem CID134861587
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine
SMILESCC=CO/N=C1\CCc2cc(OC)ccc21
InChIInChI=1S/C13H15NO2/c1-3-8-16-14-13-7-4-10-9-11(15-2)5-6-12(10)13/h3,5-6,8-9H,4,7H2,1-2H3/b8-3?,14-13+
InChIKeyXBKRCDRRJMJBHS-GQJBSQIPSA-N
XLogP2.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine (CID 134861587) is (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine is CC=CO/N=C1\CCc2cc(OC)ccc21.
What is the InChIKey of (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine?
The InChIKey is XBKRCDRRJMJBHS-GQJBSQIPSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-8-16-14-13-7-4-10-9-11(15-2)5-6-12(10)13/h3,5-6,8-9H,4,7H2,1-2H3/b8-3?,14-13+.
What are the key properties of (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine?
(E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine has a molecular weight of 217.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-N-prop-1-enoxy-2,3-dihydroinden-1-imine is sourced from PubChem (CID 134861587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).