nitroxyl;propane-1,2-diol

C3H9NO3 — CID 175455323

IUPACnitroxyl;propane-1,2-diol
SMILESCC(O)CO.N=O
InChIInChI=1S/C3H8O2.HNO/c1-3(5)2-4;1-2/h3-5H,2H2,1H3;1H
InChIKeyBUGPQHDUEKJJTM-UHFFFAOYSA-N
MW107.11 g/mol
LogP-0.31
Rot. Bonds1

About nitroxyl;propane-1,2-diol

nitroxyl;propane-1,2-diol (PubChem CID 175455323) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is nitroxyl;propane-1,2-diol.

Molecular Properties

Compound Namenitroxyl;propane-1,2-diol
PubChem CID175455323
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Namenitroxyl;propane-1,2-diol
SMILESCC(O)CO.N=O
InChIInChI=1S/C3H8O2.HNO/c1-3(5)2-4;1-2/h3-5H,2H2,1H3;1H
InChIKeyBUGPQHDUEKJJTM-UHFFFAOYSA-N
XLogP-0.31
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze nitroxyl;propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane-1,2-diol
CID 23506506
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
oxaldehyde;propane-1,2-diol
CID 87878594
propane-1,2-diol;selenous acid
CID 88681606
propane-1,2-diol;sulfuric acid
CID 87528272
propane-1,2-diol;sulfuric acid
CID 173459589
CID 87205903
CID 87205903

Frequently Asked Questions

What is the IUPAC name of nitroxyl;propane-1,2-diol?
The IUPAC name of nitroxyl;propane-1,2-diol (CID 175455323) is nitroxyl;propane-1,2-diol.
What is the SMILES notation for nitroxyl;propane-1,2-diol?
The canonical SMILES for nitroxyl;propane-1,2-diol is CC(O)CO.N=O.
What is the InChIKey of nitroxyl;propane-1,2-diol?
The InChIKey is BUGPQHDUEKJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.HNO/c1-3(5)2-4;1-2/h3-5H,2H2,1H3;1H.
What are the key properties of nitroxyl;propane-1,2-diol?
nitroxyl;propane-1,2-diol has a molecular weight of 107.11 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl;propane-1,2-diol is sourced from PubChem (CID 175455323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).