methyl nitrite;prop-2-en-1-ol

C4H9NO3 — CID 174754081

IUPACmethyl nitrite;prop-2-en-1-ol
SMILESC=CCO.CON=O
InChIInChI=1S/C3H6O.CH3NO2/c1-2-3-4;1-4-2-3/h2,4H,1,3H2;1H3
InChIKeyBRUBSPKHSAKODJ-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.48
Rot. Bonds2

About methyl nitrite;prop-2-en-1-ol

methyl nitrite;prop-2-en-1-ol (PubChem CID 174754081) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is methyl nitrite;prop-2-en-1-ol.

Molecular Properties

Compound Namemethyl nitrite;prop-2-en-1-ol
PubChem CID174754081
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namemethyl nitrite;prop-2-en-1-ol
SMILESC=CCO.CON=O
InChIInChI=1S/C3H6O.CH3NO2/c1-2-3-4;1-4-2-3/h2,4H,1,3H2;1H3
InChIKeyBRUBSPKHSAKODJ-UHFFFAOYSA-N
XLogP0.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

tris(prop-2-en-1-ol);titanium
CID 177430302
prop-2-en-1-ol;stannane
CID 173011847
alumane;prop-2-en-1-ol
CID 173215342
palladium;prop-2-en-1-ol
CID 174738177
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol
CID 174878856
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277

Frequently Asked Questions

What is the IUPAC name of methyl nitrite;prop-2-en-1-ol?
The IUPAC name of methyl nitrite;prop-2-en-1-ol (CID 174754081) is methyl nitrite;prop-2-en-1-ol.
What is the SMILES notation for methyl nitrite;prop-2-en-1-ol?
The canonical SMILES for methyl nitrite;prop-2-en-1-ol is C=CCO.CON=O.
What is the InChIKey of methyl nitrite;prop-2-en-1-ol?
The InChIKey is BRUBSPKHSAKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH3NO2/c1-2-3-4;1-4-2-3/h2,4H,1,3H2;1H3.
What are the key properties of methyl nitrite;prop-2-en-1-ol?
methyl nitrite;prop-2-en-1-ol has a molecular weight of 119.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl nitrite;prop-2-en-1-ol is sourced from PubChem (CID 174754081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).