(6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine

C6H11NO2 — CID 118327648

IUPAC(6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESN[C@]12CCOC1CCO2
InChIInChI=1S/C6H11NO2/c7-6-2-4-8-5(6)1-3-9-6/h5H,1-4,7H2/t5?,6-/m0/s1
InChIKeyYZRWOPIWUNHHEC-GDVGLLTNSA-N
MW129.16 g/mol
LogP-0.15
Rot. Bonds

About (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine

(6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (PubChem CID 118327648) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.

Molecular Properties

Compound Name(6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
PubChem CID118327648
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESN[C@]12CCOC1CCO2
InChIInChI=1S/C6H11NO2/c7-6-2-4-8-5(6)1-3-9-6/h5H,1-4,7H2/t5?,6-/m0/s1
InChIKeyYZRWOPIWUNHHEC-GDVGLLTNSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The IUPAC name of (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (CID 118327648) is (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.
What is the SMILES notation for (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The canonical SMILES for (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is N[C@]12CCOC1CCO2.
What is the InChIKey of (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The InChIKey is YZRWOPIWUNHHEC-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H11NO2/c7-6-2-4-8-5(6)1-3-9-6/h5H,1-4,7H2/t5?,6-/m0/s1.
What are the key properties of (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
(6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine has a molecular weight of 129.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is sourced from PubChem (CID 118327648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).