nitrous acid;prop-2-enoic acid

C3H5NO4 — CID 87769222

IUPACnitrous acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=NO
InChIInChI=1S/C3H4O2.HNO2/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);(H,2,3)
InChIKeyOQQKWBBSICOGLJ-UHFFFAOYSA-N
MW119.08 g/mol
LogP0.40
Rot. Bonds1

About nitrous acid;prop-2-enoic acid

nitrous acid;prop-2-enoic acid (PubChem CID 87769222) has the molecular formula C3H5NO4 and a molecular weight of 119.08 g/mol. Its IUPAC name is nitrous acid;prop-2-enoic acid.

Molecular Properties

Compound Namenitrous acid;prop-2-enoic acid
PubChem CID87769222
Molecular FormulaC3H5NO4
Molecular Weight119.08 g/mol
Exact Mass119.02
IUPAC Namenitrous acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=NO
InChIInChI=1S/C3H4O2.HNO2/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);(H,2,3)
InChIKeyOQQKWBBSICOGLJ-UHFFFAOYSA-N
XLogP0.40
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
methanol;prop-2-enoic acid
CID 159043362
calcium;prop-2-enoic acid;dichloride
CID 172857747

Frequently Asked Questions

What is the IUPAC name of nitrous acid;prop-2-enoic acid?
The IUPAC name of nitrous acid;prop-2-enoic acid (CID 87769222) is nitrous acid;prop-2-enoic acid.
What is the SMILES notation for nitrous acid;prop-2-enoic acid?
The canonical SMILES for nitrous acid;prop-2-enoic acid is C=CC(=O)O.O=NO.
What is the InChIKey of nitrous acid;prop-2-enoic acid?
The InChIKey is OQQKWBBSICOGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.HNO2/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);(H,2,3).
What are the key properties of nitrous acid;prop-2-enoic acid?
nitrous acid;prop-2-enoic acid has a molecular weight of 119.08 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;prop-2-enoic acid is sourced from PubChem (CID 87769222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).