O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine

C10H17N3O3 — CID 163612144

IUPACO-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine
SMILESNOC1(C2CC3C=CC2C3)OC(N)C(N)O1
InChIInChI=1S/C10H17N3O3/c11-8-9(12)15-10(14-8,16-13)7-4-5-1-2-6(7)3-5/h1-2,5-9H,3-4,11-13H2
InChIKeyHGVPXMYFMWJBDO-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.64
Rot. Bonds2

About O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine

O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine (PubChem CID 163612144) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine
PubChem CID163612144
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameO-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine
SMILESNOC1(C2CC3C=CC2C3)OC(N)C(N)O1
InChIInChI=1S/C10H17N3O3/c11-8-9(12)15-10(14-8,16-13)7-4-5-1-2-6(7)3-5/h1-2,5-9H,3-4,11-13H2
InChIKeyHGVPXMYFMWJBDO-UHFFFAOYSA-N
XLogP-0.64
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine?
The IUPAC name of O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine (CID 163612144) is O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine.
What is the SMILES notation for O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine?
The canonical SMILES for O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine is NOC1(C2CC3C=CC2C3)OC(N)C(N)O1.
What is the InChIKey of O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine?
The InChIKey is HGVPXMYFMWJBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-8-9(12)15-10(14-8,16-13)7-4-5-1-2-6(7)3-5/h1-2,5-9H,3-4,11-13H2.
What are the key properties of O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine?
O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine has a molecular weight of 227.26 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4,5-diamino-2-(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolan-2-yl]hydroxylamine is sourced from PubChem (CID 163612144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).