2,2-dinitrosopropan-1-ol

C3H6N2O3 — CID 148638219

IUPAC2,2-dinitrosopropan-1-ol
SMILESCC(CO)(N=O)N=O
InChIInChI=1S/C3H6N2O3/c1-3(2-6,4-7)5-8/h6H,2H2,1H3
InChIKeyNJMPOEFAQLWPOK-UHFFFAOYSA-N
MW118.09 g/mol
LogP0.23
Rot. Bonds3

About 2,2-dinitrosopropan-1-ol

2,2-dinitrosopropan-1-ol (PubChem CID 148638219) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is 2,2-dinitrosopropan-1-ol.

Molecular Properties

Compound Name2,2-dinitrosopropan-1-ol
PubChem CID148638219
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name2,2-dinitrosopropan-1-ol
SMILESCC(CO)(N=O)N=O
InChIInChI=1S/C3H6N2O3/c1-3(2-6,4-7)5-8/h6H,2H2,1H3
InChIKeyNJMPOEFAQLWPOK-UHFFFAOYSA-N
XLogP0.23
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-nitrosobutan-1-ol
CID 118373158
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
CID 130718714
2,3-dimethylbutane-1,2,3,4-tetrol
CID 130147728
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
4,4,4-trifluoro-3-methyl-3-nitrosobutan-1-ol
CID 14870562
dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol
CID 21481404
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
(2-amino-1-hydroxypropan-2-yl)phosphonic acid
CID 22262973
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778

Frequently Asked Questions

What is the IUPAC name of 2,2-dinitrosopropan-1-ol?
The IUPAC name of 2,2-dinitrosopropan-1-ol (CID 148638219) is 2,2-dinitrosopropan-1-ol.
What is the SMILES notation for 2,2-dinitrosopropan-1-ol?
The canonical SMILES for 2,2-dinitrosopropan-1-ol is CC(CO)(N=O)N=O.
What is the InChIKey of 2,2-dinitrosopropan-1-ol?
The InChIKey is NJMPOEFAQLWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c1-3(2-6,4-7)5-8/h6H,2H2,1H3.
What are the key properties of 2,2-dinitrosopropan-1-ol?
2,2-dinitrosopropan-1-ol has a molecular weight of 118.09 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dinitrosopropan-1-ol is sourced from PubChem (CID 148638219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).