2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole

C11H16N2O — CID 58415672

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1C1=CCOCC1
InChIInChI=1S/C11H16N2O/c1-9(2)13-6-5-12-11(13)10-3-7-14-8-4-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyPAOYKSPGRMHPLH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.27
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole

2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole (PubChem CID 58415672) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole
PubChem CID58415672
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1C1=CCOCC1
InChIInChI=1S/C11H16N2O/c1-9(2)13-6-5-12-11(13)10-3-7-14-8-4-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyPAOYKSPGRMHPLH-UHFFFAOYSA-N
XLogP2.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole (CID 58415672) is 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole is CC(C)n1ccnc1C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole?
The InChIKey is PAOYKSPGRMHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(2)13-6-5-12-11(13)10-3-7-14-8-4-10/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole?
2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole has a molecular weight of 192.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylimidazole is sourced from PubChem (CID 58415672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).