1-propan-2-ylpyridine

C8H11N — CID 21040421

IUPAC1-propan-2-ylpyridine
SMILESCC(C)N1C=C=CC=C1
InChIInChI=1S/C8H11N/c1-8(2)9-6-4-3-5-7-9/h3-4,6-8H,1-2H3
InChIKeyYVPFOXNHUHUUFC-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.89
Rot. Bonds1

About 1-propan-2-ylpyridine

1-propan-2-ylpyridine (PubChem CID 21040421) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-propan-2-ylpyridine.

Molecular Properties

Compound Name1-propan-2-ylpyridine
PubChem CID21040421
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-propan-2-ylpyridine
SMILESCC(C)N1C=C=CC=C1
InChIInChI=1S/C8H11N/c1-8(2)9-6-4-3-5-7-9/h3-4,6-8H,1-2H3
InChIKeyYVPFOXNHUHUUFC-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyridine?
The IUPAC name of 1-propan-2-ylpyridine (CID 21040421) is 1-propan-2-ylpyridine.
What is the SMILES notation for 1-propan-2-ylpyridine?
The canonical SMILES for 1-propan-2-ylpyridine is CC(C)N1C=C=CC=C1.
What is the InChIKey of 1-propan-2-ylpyridine?
The InChIKey is YVPFOXNHUHUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-8(2)9-6-4-3-5-7-9/h3-4,6-8H,1-2H3.
What are the key properties of 1-propan-2-ylpyridine?
1-propan-2-ylpyridine has a molecular weight of 121.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyridine is sourced from PubChem (CID 21040421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).