O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane

C9H19NO3 — CID 176698149

IUPACO-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
SMILESCCC.NOC1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C6H11NO3.C3H8/c7-10-5-3-9-4-1-2-8-6(4)5;1-3-2/h4-6H,1-3,7H2;3H2,1-2H3/t4-,5?,6+;/m1./s1
InChIKeySGADTQGCKNMZMT-KQWAVXQLSA-N
MW189.25 g/mol
LogP0.85
Rot. Bonds1

About O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane

O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane (PubChem CID 176698149) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane.

Molecular Properties

Compound NameO-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
PubChem CID176698149
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameO-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
SMILESCCC.NOC1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C6H11NO3.C3H8/c7-10-5-3-9-4-1-2-8-6(4)5;1-3-2/h4-6H,1-3,7H2;3H2,1-2H3/t4-,5?,6+;/m1./s1
InChIKeySGADTQGCKNMZMT-KQWAVXQLSA-N
XLogP0.85
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane?
The IUPAC name of O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane (CID 176698149) is O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane.
What is the SMILES notation for O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane?
The canonical SMILES for O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane is CCC.NOC1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane?
The InChIKey is SGADTQGCKNMZMT-KQWAVXQLSA-N. The full InChI is InChI=1S/C6H11NO3.C3H8/c7-10-5-3-9-4-1-2-8-6(4)5;1-3-2/h4-6H,1-3,7H2;3H2,1-2H3/t4-,5?,6+;/m1./s1.
What are the key properties of O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane?
O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane has a molecular weight of 189.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane is sourced from PubChem (CID 176698149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).