2-[(E)-prop-1-enyl]quinoline

C12H11N — CID 6047558

IUPAC2-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C12H11N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h2-9H,1H3/b5-2+
InChIKeyNJEPMWNTUJFVTQ-GORDUTHDSA-N
MW169.23 g/mol
LogP3.27
Rot. Bonds1

About 2-[(E)-prop-1-enyl]quinoline

2-[(E)-prop-1-enyl]quinoline (PubChem CID 6047558) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]quinoline.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]quinoline
PubChem CID6047558
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name2-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C12H11N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h2-9H,1H3/b5-2+
InChIKeyNJEPMWNTUJFVTQ-GORDUTHDSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]quinoline?
The IUPAC name of 2-[(E)-prop-1-enyl]quinoline (CID 6047558) is 2-[(E)-prop-1-enyl]quinoline.
What is the SMILES notation for 2-[(E)-prop-1-enyl]quinoline?
The canonical SMILES for 2-[(E)-prop-1-enyl]quinoline is C/C=C/c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E)-prop-1-enyl]quinoline?
The InChIKey is NJEPMWNTUJFVTQ-GORDUTHDSA-N. The full InChI is InChI=1S/C12H11N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h2-9H,1H3/b5-2+.
What are the key properties of 2-[(E)-prop-1-enyl]quinoline?
2-[(E)-prop-1-enyl]quinoline has a molecular weight of 169.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]quinoline is sourced from PubChem (CID 6047558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).