3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole

C9H14N2O — CID 146338528

IUPAC3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole
SMILESCC(C)n1cnc2c1OCCC2
InChIInChI=1S/C9H14N2O/c1-7(2)11-6-10-8-4-3-5-12-9(8)11/h6-7H,3-5H2,1-2H3
InChIKeyVGUVTXAZIFTHSH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.79
Rot. Bonds1

About 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole

3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole (PubChem CID 146338528) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole
PubChem CID146338528
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole
SMILESCC(C)n1cnc2c1OCCC2
InChIInChI=1S/C9H14N2O/c1-7(2)11-6-10-8-4-3-5-12-9(8)11/h6-7H,3-5H2,1-2H3
InChIKeyVGUVTXAZIFTHSH-UHFFFAOYSA-N
XLogP1.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole (CID 146338528) is 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole is CC(C)n1cnc2c1OCCC2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole?
The InChIKey is VGUVTXAZIFTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)11-6-10-8-4-3-5-12-9(8)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole?
3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]imidazole is sourced from PubChem (CID 146338528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).