(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine

C6H11NO2 — CID 97302678

IUPAC(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
SMILESN[C@@H]1CO[C@H]2OCC[C@@H]21
InChIInChI=1S/C6H11NO2/c7-5-3-9-6-4(5)1-2-8-6/h4-6H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKeyRHQKWVXCNVSKSV-HSUXUTPPSA-N
MW129.16 g/mol
LogP-0.29
Rot. Bonds

About (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine

(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine (PubChem CID 97302678) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine.

Molecular Properties

Compound Name(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
PubChem CID97302678
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
SMILESN[C@@H]1CO[C@H]2OCC[C@@H]21
InChIInChI=1S/C6H11NO2/c7-5-3-9-6-4(5)1-2-8-6/h4-6H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKeyRHQKWVXCNVSKSV-HSUXUTPPSA-N
XLogP-0.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine with MolForge

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Related Compounds

5,7,9-trioxatricyclo[6.3.0.02,6]undecan-3-amine
CID 123749123
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
O-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)hydroxylamine
CID 123959878
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768058
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate
CID 59512802

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
The IUPAC name of (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine (CID 97302678) is (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine.
What is the SMILES notation for (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
The canonical SMILES for (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine is N[C@@H]1CO[C@H]2OCC[C@@H]21.
What is the InChIKey of (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
The InChIKey is RHQKWVXCNVSKSV-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-3-9-6-4(5)1-2-8-6/h4-6H,1-3,7H2/t4-,5-,6-/m1/s1.
What are the key properties of (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine has a molecular weight of 129.16 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine is sourced from PubChem (CID 97302678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).