4-propan-2-yl-3-prop-1-ynylpyridine

C11H13N — CID 163224364

IUPAC4-propan-2-yl-3-prop-1-ynylpyridine
SMILESCC#Cc1cnccc1C(C)C
InChIInChI=1S/C11H13N/c1-4-5-10-8-12-7-6-11(10)9(2)3/h6-9H,1-3H3
InChIKeyFDGQKOMOUMDVIH-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.58
Rot. Bonds1

About 4-propan-2-yl-3-prop-1-ynylpyridine

4-propan-2-yl-3-prop-1-ynylpyridine (PubChem CID 163224364) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-propan-2-yl-3-prop-1-ynylpyridine.

Molecular Properties

Compound Name4-propan-2-yl-3-prop-1-ynylpyridine
PubChem CID163224364
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4-propan-2-yl-3-prop-1-ynylpyridine
SMILESCC#Cc1cnccc1C(C)C
InChIInChI=1S/C11H13N/c1-4-5-10-8-12-7-6-11(10)9(2)3/h6-9H,1-3H3
InChIKeyFDGQKOMOUMDVIH-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-prop-1-ynylpyridine?
The IUPAC name of 4-propan-2-yl-3-prop-1-ynylpyridine (CID 163224364) is 4-propan-2-yl-3-prop-1-ynylpyridine.
What is the SMILES notation for 4-propan-2-yl-3-prop-1-ynylpyridine?
The canonical SMILES for 4-propan-2-yl-3-prop-1-ynylpyridine is CC#Cc1cnccc1C(C)C.
What is the InChIKey of 4-propan-2-yl-3-prop-1-ynylpyridine?
The InChIKey is FDGQKOMOUMDVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-5-10-8-12-7-6-11(10)9(2)3/h6-9H,1-3H3.
What are the key properties of 4-propan-2-yl-3-prop-1-ynylpyridine?
4-propan-2-yl-3-prop-1-ynylpyridine has a molecular weight of 159.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-prop-1-ynylpyridine is sourced from PubChem (CID 163224364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).