nitroso prop-2-enyl sulfate

C3H5NO5S — CID 151816255

IUPACnitroso prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)ON=O
InChIInChI=1S/C3H5NO5S/c1-2-3-8-10(6,7)9-4-5/h2H,1,3H2
InChIKeySBQVPNKCMHANPF-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.13
Rot. Bonds5

About nitroso prop-2-enyl sulfate

nitroso prop-2-enyl sulfate (PubChem CID 151816255) has the molecular formula C3H5NO5S and a molecular weight of 167.14 g/mol. Its IUPAC name is nitroso prop-2-enyl sulfate.

Molecular Properties

Compound Namenitroso prop-2-enyl sulfate
PubChem CID151816255
Molecular FormulaC3H5NO5S
Molecular Weight167.14 g/mol
Exact Mass166.99
IUPAC Namenitroso prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)ON=O
InChIInChI=1S/C3H5NO5S/c1-2-3-8-10(6,7)9-4-5/h2H,1,3H2
InChIKeySBQVPNKCMHANPF-UHFFFAOYSA-N
XLogP0.13
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

sodium;ethyl prop-2-enyl sulfate;hydride
CID 173210575
ethoxy prop-2-enyl sulfate
CID 87065036
3-silylsulfonyloxyprop-1-ene
CID 173032447
lithium prop-2-enyl sulfate
CID 87403119
aluminum tris(prop-2-enyl sulfate)
CID 173336945
CID 87404163
CID 87404163
N,N-dimethylethanamine;ethyl prop-2-enyl sulfate
CID 87856591
prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate
CID 122601865
(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate
CID 177113124
prop-2-enyl 2-propoxyethyl sulfate
CID 87060829
2-aminoethanol;ethoxy prop-2-enyl sulfate
CID 90391642
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358

Frequently Asked Questions

What is the IUPAC name of nitroso prop-2-enyl sulfate?
The IUPAC name of nitroso prop-2-enyl sulfate (CID 151816255) is nitroso prop-2-enyl sulfate.
What is the SMILES notation for nitroso prop-2-enyl sulfate?
The canonical SMILES for nitroso prop-2-enyl sulfate is C=CCOS(=O)(=O)ON=O.
What is the InChIKey of nitroso prop-2-enyl sulfate?
The InChIKey is SBQVPNKCMHANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO5S/c1-2-3-8-10(6,7)9-4-5/h2H,1,3H2.
What are the key properties of nitroso prop-2-enyl sulfate?
nitroso prop-2-enyl sulfate has a molecular weight of 167.14 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso prop-2-enyl sulfate is sourced from PubChem (CID 151816255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).