(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate

C6H10N2O5 — CID 12959196

IUPAC(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate
SMILESNC1COC2C(O[N+](=O)[O-])COC12
InChIInChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2
InChIKeyIOSFCUSLSLNFJT-UHFFFAOYSA-N
MW190.16 g/mol
LogP-1.31
Rot. Bonds2

About (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate

(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate (PubChem CID 12959196) has the molecular formula C6H10N2O5 and a molecular weight of 190.16 g/mol. Its IUPAC name is (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate.

Molecular Properties

Compound Name(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate
PubChem CID12959196
Molecular FormulaC6H10N2O5
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate
SMILESNC1COC2C(O[N+](=O)[O-])COC12
InChIInChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2
InChIKeyIOSFCUSLSLNFJT-UHFFFAOYSA-N
XLogP-1.31
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate?
The IUPAC name of (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate (CID 12959196) is (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate.
What is the SMILES notation for (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate?
The canonical SMILES for (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate is NC1COC2C(O[N+](=O)[O-])COC12.
What is the InChIKey of (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate?
The InChIKey is IOSFCUSLSLNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2.
What are the key properties of (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate?
(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate has a molecular weight of 190.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) nitrate is sourced from PubChem (CID 12959196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).