2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline

C17H18N2 — CID 166898725

IUPAC2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline
SMILESCC/C=C(\CC)c1cn2ccc3ccccc3c2n1
InChIInChI=1S/C17H18N2/c1-3-7-13(4-2)16-12-19-11-10-14-8-5-6-9-15(14)17(19)18-16/h5-12H,3-4H2,1-2H3/b13-7+
InChIKeyFFBKQNGJFIIGCR-NTUHNPAUSA-N
MW250.34 g/mol
LogP4.69
Rot. Bonds3

About 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline

2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline (PubChem CID 166898725) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline
PubChem CID166898725
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline
SMILESCC/C=C(\CC)c1cn2ccc3ccccc3c2n1
InChIInChI=1S/C17H18N2/c1-3-7-13(4-2)16-12-19-11-10-14-8-5-6-9-15(14)17(19)18-16/h5-12H,3-4H2,1-2H3/b13-7+
InChIKeyFFBKQNGJFIIGCR-NTUHNPAUSA-N
XLogP4.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline (CID 166898725) is 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline is CC/C=C(\CC)c1cn2ccc3ccccc3c2n1.
What is the InChIKey of 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline?
The InChIKey is FFBKQNGJFIIGCR-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-7-13(4-2)16-12-19-11-10-14-8-5-6-9-15(14)17(19)18-16/h5-12H,3-4H2,1-2H3/b13-7+.
What are the key properties of 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline?
2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline has a molecular weight of 250.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-en-3-yl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 166898725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).