2-(cyclopropylmethoxy)-3-propan-2-ylpyridine

C12H17NO — CID 164786458

IUPAC2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1OCC1CC1
InChIInChI=1S/C12H17NO/c1-9(2)11-4-3-7-13-12(11)14-8-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyOCRIFDZKQUMKAB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.99
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine

2-(cyclopropylmethoxy)-3-propan-2-ylpyridine (PubChem CID 164786458) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
PubChem CID164786458
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1OCC1CC1
InChIInChI=1S/C12H17NO/c1-9(2)11-4-3-7-13-12(11)14-8-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyOCRIFDZKQUMKAB-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine?
The IUPAC name of 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine (CID 164786458) is 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine is CC(C)c1cccnc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine?
The InChIKey is OCRIFDZKQUMKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)11-4-3-7-13-12(11)14-8-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine?
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine has a molecular weight of 191.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-propan-2-ylpyridine is sourced from PubChem (CID 164786458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).