2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole

C8H14N2O — CID 126655176

IUPAC2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
SMILESCC(C)C1=NC2COCC2N1
InChIInChI=1S/C8H14N2O/c1-5(2)8-9-6-3-11-4-7(6)10-8/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyYKAHZJQFHYVCLE-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.41
Rot. Bonds1

About 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole

2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole (PubChem CID 126655176) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole.

Molecular Properties

Compound Name2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
PubChem CID126655176
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
SMILESCC(C)C1=NC2COCC2N1
InChIInChI=1S/C8H14N2O/c1-5(2)8-9-6-3-11-4-7(6)10-8/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyYKAHZJQFHYVCLE-UHFFFAOYSA-N
XLogP0.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
The IUPAC name of 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole (CID 126655176) is 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole.
What is the SMILES notation for 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
The canonical SMILES for 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole is CC(C)C1=NC2COCC2N1.
What is the InChIKey of 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
The InChIKey is YKAHZJQFHYVCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)8-9-6-3-11-4-7(6)10-8/h5-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole has a molecular weight of 154.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole is sourced from PubChem (CID 126655176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).