2-prop-1-enyl-5-propylpyridine

C11H15N — CID 54200611

IUPAC2-prop-1-enyl-5-propylpyridine
SMILESCC=Cc1ccc(CCC)cn1
InChIInChI=1S/C11H15N/c1-3-5-10-7-8-11(6-4-2)12-9-10/h4,6-9H,3,5H2,1-2H3
InChIKeyPOYWCTPSISVDQJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.07
Rot. Bonds3

About 2-prop-1-enyl-5-propylpyridine

2-prop-1-enyl-5-propylpyridine (PubChem CID 54200611) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-prop-1-enyl-5-propylpyridine.

Molecular Properties

Compound Name2-prop-1-enyl-5-propylpyridine
PubChem CID54200611
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-prop-1-enyl-5-propylpyridine
SMILESCC=Cc1ccc(CCC)cn1
InChIInChI=1S/C11H15N/c1-3-5-10-7-8-11(6-4-2)12-9-10/h4,6-9H,3,5H2,1-2H3
InChIKeyPOYWCTPSISVDQJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyl-5-propylpyridine?
The IUPAC name of 2-prop-1-enyl-5-propylpyridine (CID 54200611) is 2-prop-1-enyl-5-propylpyridine.
What is the SMILES notation for 2-prop-1-enyl-5-propylpyridine?
The canonical SMILES for 2-prop-1-enyl-5-propylpyridine is CC=Cc1ccc(CCC)cn1.
What is the InChIKey of 2-prop-1-enyl-5-propylpyridine?
The InChIKey is POYWCTPSISVDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-5-10-7-8-11(6-4-2)12-9-10/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 2-prop-1-enyl-5-propylpyridine?
2-prop-1-enyl-5-propylpyridine has a molecular weight of 161.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-5-propylpyridine is sourced from PubChem (CID 54200611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).