2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole

C9H14N2O2 — CID 157326065

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole
SMILESC1CC2OCCC2O1.c1c[nH]cn1
InChIInChI=1S/C6H10O2.C3H4N2/c1-3-7-6-2-4-8-5(1)6;1-2-5-3-4-1/h5-6H,1-4H2;1-3H,(H,4,5)
InChIKeyBESQSEJPBMEQPF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.97
Rot. Bonds

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole (PubChem CID 157326065) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole
PubChem CID157326065
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole
SMILESC1CC2OCCC2O1.c1c[nH]cn1
InChIInChI=1S/C6H10O2.C3H4N2/c1-3-7-6-2-4-8-5(1)6;1-2-5-3-4-1/h5-6H,1-4H2;1-3H,(H,4,5)
InChIKeyBESQSEJPBMEQPF-UHFFFAOYSA-N
XLogP0.97
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole (CID 157326065) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole is C1CC2OCCC2O1.c1c[nH]cn1.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole?
The InChIKey is BESQSEJPBMEQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H4N2/c1-3-7-6-2-4-8-5(1)6;1-2-5-3-4-1/h5-6H,1-4H2;1-3H,(H,4,5).
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole has a molecular weight of 182.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;1H-imidazole is sourced from PubChem (CID 157326065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).