1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine

C15H17N3 — CID 106562783

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C1CCc2ccccc21
InChIInChI=1S/C15H17N3/c1-2-9-16-15-17-10-11-18(15)14-8-7-12-5-3-4-6-13(12)14/h2-6,10-11,14H,1,7-9H2,(H,16,17)
InChIKeyJMMGVCIIHLSLIG-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine

1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106562783) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
PubChem CID106562783
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C1CCc2ccccc21
InChIInChI=1S/C15H17N3/c1-2-9-16-15-17-10-11-18(15)14-8-7-12-5-3-4-6-13(12)14/h2-6,10-11,14H,1,7-9H2,(H,16,17)
InChIKeyJMMGVCIIHLSLIG-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine (CID 106562783) is 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is JMMGVCIIHLSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-9-16-15-17-10-11-18(15)14-8-7-12-5-3-4-6-13(12)14/h2-6,10-11,14H,1,7-9H2,(H,16,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine?
1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106562783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).