hydroxylamine;prop-2-enyl nitrate

C3H8N2O4 — CID 173242040

IUPAChydroxylamine;prop-2-enyl nitrate
SMILESC=CCO[N+](=O)[O-].NO
InChIInChI=1S/C3H5NO3.H3NO/c1-2-3-7-4(5)6;1-2/h2H,1,3H2;2H,1H2
InChIKeyRTPBXSLAPZPWMU-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.28
Rot. Bonds3

About hydroxylamine;prop-2-enyl nitrate

hydroxylamine;prop-2-enyl nitrate (PubChem CID 173242040) has the molecular formula C3H8N2O4 and a molecular weight of 136.11 g/mol. Its IUPAC name is hydroxylamine;prop-2-enyl nitrate.

Molecular Properties

Compound Namehydroxylamine;prop-2-enyl nitrate
PubChem CID173242040
Molecular FormulaC3H8N2O4
Molecular Weight136.11 g/mol
Exact Mass136.05
IUPAC Namehydroxylamine;prop-2-enyl nitrate
SMILESC=CCO[N+](=O)[O-].NO
InChIInChI=1S/C3H5NO3.H3NO/c1-2-3-7-4(5)6;1-2/h2H,1,3H2;2H,1H2
InChIKeyRTPBXSLAPZPWMU-UHFFFAOYSA-N
XLogP-0.28
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 hydroxylamine;prop-2-enyl nitrate?
The IUPAC name of hydroxylamine;prop-2-enyl nitrate (CID 173242040) is hydroxylamine;prop-2-enyl nitrate.
What is the SMILES notation for hydroxylamine;prop-2-enyl nitrate?
The canonical SMILES for hydroxylamine;prop-2-enyl nitrate is C=CCO[N+](=O)[O-].NO.
What is the InChIKey of hydroxylamine;prop-2-enyl nitrate?
The InChIKey is RTPBXSLAPZPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3.H3NO/c1-2-3-7-4(5)6;1-2/h2H,1,3H2;2H,1H2.
What are the key properties of hydroxylamine;prop-2-enyl nitrate?
hydroxylamine;prop-2-enyl nitrate has a molecular weight of 136.11 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;prop-2-enyl nitrate is sourced from PubChem (CID 173242040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).