2-amino-1-nitrosopropan-2-ol

C3H8N2O2 — CID 153193547

IUPAC2-amino-1-nitrosopropan-2-ol
SMILESCC(N)(O)CN=O
InChIInChI=1S/C3H8N2O2/c1-3(4,6)2-5-7/h6H,2,4H2,1H3
InChIKeyWINIVZIMJRYBHD-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.58
Rot. Bonds2

About 2-amino-1-nitrosopropan-2-ol

2-amino-1-nitrosopropan-2-ol (PubChem CID 153193547) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-amino-1-nitrosopropan-2-ol.

Molecular Properties

Compound Name2-amino-1-nitrosopropan-2-ol
PubChem CID153193547
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name2-amino-1-nitrosopropan-2-ol
SMILESCC(N)(O)CN=O
InChIInChI=1S/C3H8N2O2/c1-3(4,6)2-5-7/h6H,2,4H2,1H3
InChIKeyWINIVZIMJRYBHD-UHFFFAOYSA-N
XLogP-0.58
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-nitrosopropan-2-ol?
The IUPAC name of 2-amino-1-nitrosopropan-2-ol (CID 153193547) is 2-amino-1-nitrosopropan-2-ol.
What is the SMILES notation for 2-amino-1-nitrosopropan-2-ol?
The canonical SMILES for 2-amino-1-nitrosopropan-2-ol is CC(N)(O)CN=O.
What is the InChIKey of 2-amino-1-nitrosopropan-2-ol?
The InChIKey is WINIVZIMJRYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-3(4,6)2-5-7/h6H,2,4H2,1H3.
What are the key properties of 2-amino-1-nitrosopropan-2-ol?
2-amino-1-nitrosopropan-2-ol has a molecular weight of 104.11 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-nitrosopropan-2-ol is sourced from PubChem (CID 153193547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).