2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine

C13H15N — CID 88570789

IUPAC2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine
SMILESC#CC1(c2cc(C(C)C)ccn2)CC1
InChIInChI=1S/C13H15N/c1-4-13(6-7-13)12-9-11(10(2)3)5-8-14-12/h1,5,8-10H,6-7H2,2-3H3
InChIKeyMMWRVVMNXXIWQV-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.87
Rot. Bonds2

About 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine

2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine (PubChem CID 88570789) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine
PubChem CID88570789
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine
SMILESC#CC1(c2cc(C(C)C)ccn2)CC1
InChIInChI=1S/C13H15N/c1-4-13(6-7-13)12-9-11(10(2)3)5-8-14-12/h1,5,8-10H,6-7H2,2-3H3
InChIKeyMMWRVVMNXXIWQV-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.87
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 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine (CID 88570789) is 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine is C#CC1(c2cc(C(C)C)ccn2)CC1.
What is the InChIKey of 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine?
The InChIKey is MMWRVVMNXXIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-4-13(6-7-13)12-9-11(10(2)3)5-8-14-12/h1,5,8-10H,6-7H2,2-3H3.
What are the key properties of 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine?
2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine has a molecular weight of 185.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethynylcyclopropyl)-4-propan-2-ylpyridine is sourced from PubChem (CID 88570789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).