3-prop-1-en-2-ylindolizine

C11H11N — CID 15363255

IUPAC3-prop-1-en-2-ylindolizine
SMILESC=C(C)c1ccc2ccccn12
InChIInChI=1S/C11H11N/c1-9(2)11-7-6-10-5-3-4-8-12(10)11/h3-8H,1H2,2H3
InChIKeyIFXWYXLMLLKFQS-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.97
Rot. Bonds1

About 3-prop-1-en-2-ylindolizine

3-prop-1-en-2-ylindolizine (PubChem CID 15363255) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-prop-1-en-2-ylindolizine.

Molecular Properties

Compound Name3-prop-1-en-2-ylindolizine
PubChem CID15363255
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-prop-1-en-2-ylindolizine
SMILESC=C(C)c1ccc2ccccn12
InChIInChI=1S/C11H11N/c1-9(2)11-7-6-10-5-3-4-8-12(10)11/h3-8H,1H2,2H3
InChIKeyIFXWYXLMLLKFQS-UHFFFAOYSA-N
XLogP2.97
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylindolizine?
The IUPAC name of 3-prop-1-en-2-ylindolizine (CID 15363255) is 3-prop-1-en-2-ylindolizine.
What is the SMILES notation for 3-prop-1-en-2-ylindolizine?
The canonical SMILES for 3-prop-1-en-2-ylindolizine is C=C(C)c1ccc2ccccn12.
What is the InChIKey of 3-prop-1-en-2-ylindolizine?
The InChIKey is IFXWYXLMLLKFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9(2)11-7-6-10-5-3-4-8-12(10)11/h3-8H,1H2,2H3.
What are the key properties of 3-prop-1-en-2-ylindolizine?
3-prop-1-en-2-ylindolizine has a molecular weight of 157.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylindolizine is sourced from PubChem (CID 15363255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).