5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine

C15H19N3O — CID 79498722

IUPAC5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCc1ccc(OC)cc12
InChIInChI=1S/C15H19N3O/c1-3-8-18-14(16)17-10-15(18)7-6-11-4-5-12(19-2)9-13(11)15/h3-5,9H,1,6-8,10H2,2H3,(H2,16,17)
InChIKeyWAYCWLOXLQVORL-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.65
Rot. Bonds3

About 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine

5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79498722) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
PubChem CID79498722
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCc1ccc(OC)cc12
InChIInChI=1S/C15H19N3O/c1-3-8-18-14(16)17-10-15(18)7-6-11-4-5-12(19-2)9-13(11)15/h3-5,9H,1,6-8,10H2,2H3,(H2,16,17)
InChIKeyWAYCWLOXLQVORL-UHFFFAOYSA-N
XLogP1.65
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (CID 79498722) is 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is C=CCN1C(N)=NCC12CCc1ccc(OC)cc12.
What is the InChIKey of 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is WAYCWLOXLQVORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-8-18-14(16)17-10-15(18)7-6-11-4-5-12(19-2)9-13(11)15/h3-5,9H,1,6-8,10H2,2H3,(H2,16,17).
What are the key properties of 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 257.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79498722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).