2-propan-2-yloxy-1,2-dihydropyridine

C8H13NO — CID 142025982

IUPAC2-propan-2-yloxy-1,2-dihydropyridine
SMILESCC(C)OC1C=CC=CN1
InChIInChI=1S/C8H13NO/c1-7(2)10-8-5-3-4-6-9-8/h3-9H,1-2H3
InChIKeyCQGHCGMEWCOQTL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds2

About 2-propan-2-yloxy-1,2-dihydropyridine

2-propan-2-yloxy-1,2-dihydropyridine (PubChem CID 142025982) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-propan-2-yloxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yloxy-1,2-dihydropyridine
PubChem CID142025982
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-propan-2-yloxy-1,2-dihydropyridine
SMILESCC(C)OC1C=CC=CN1
InChIInChI=1S/C8H13NO/c1-7(2)10-8-5-3-4-6-9-8/h3-9H,1-2H3
InChIKeyCQGHCGMEWCOQTL-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1,2-dihydropyridine?
The IUPAC name of 2-propan-2-yloxy-1,2-dihydropyridine (CID 142025982) is 2-propan-2-yloxy-1,2-dihydropyridine.
What is the SMILES notation for 2-propan-2-yloxy-1,2-dihydropyridine?
The canonical SMILES for 2-propan-2-yloxy-1,2-dihydropyridine is CC(C)OC1C=CC=CN1.
What is the InChIKey of 2-propan-2-yloxy-1,2-dihydropyridine?
The InChIKey is CQGHCGMEWCOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)10-8-5-3-4-6-9-8/h3-9H,1-2H3.
What are the key properties of 2-propan-2-yloxy-1,2-dihydropyridine?
2-propan-2-yloxy-1,2-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1,2-dihydropyridine is sourced from PubChem (CID 142025982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).