sodium;prop-2-enoic acid;nitrate

C3H4NNaO5 — CID 175070026

IUPACsodium;prop-2-enoic acid;nitrate
SMILESC=CC(=O)O.O=[N+]([O-])[O-].[Na+]
InChIInChI=1S/C3H4O2.NO3.Na/c1-2-3(4)5;2-1(3)4;/h2H,1H2,(H,4,5);;/q;-1;+1
InChIKeyQOQIFCVYPOXUDV-UHFFFAOYSA-N
MW157.06 g/mol
LogP-2.98
Rot. Bonds1

About sodium;prop-2-enoic acid;nitrate

sodium;prop-2-enoic acid;nitrate (PubChem CID 175070026) has the molecular formula C3H4NNaO5 and a molecular weight of 157.06 g/mol. Its IUPAC name is sodium;prop-2-enoic acid;nitrate.

Molecular Properties

Compound Namesodium;prop-2-enoic acid;nitrate
PubChem CID175070026
Molecular FormulaC3H4NNaO5
Molecular Weight157.06 g/mol
Exact Mass157.00
IUPAC Namesodium;prop-2-enoic acid;nitrate
SMILESC=CC(=O)O.O=[N+]([O-])[O-].[Na+]
InChIInChI=1S/C3H4O2.NO3.Na/c1-2-3(4)5;2-1(3)4;/h2H,1H2,(H,4,5);;/q;-1;+1
InChIKeyQOQIFCVYPOXUDV-UHFFFAOYSA-N
XLogP-2.98
TPSA103.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.06
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
bis(prop-2-enoic acid);hydrochloride
CID 88811054
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
sodium;acetic acid;prop-2-enoic acid
CID 157405919
sodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173229476

Frequently Asked Questions

What is the IUPAC name of sodium;prop-2-enoic acid;nitrate?
The IUPAC name of sodium;prop-2-enoic acid;nitrate (CID 175070026) is sodium;prop-2-enoic acid;nitrate.
What is the SMILES notation for sodium;prop-2-enoic acid;nitrate?
The canonical SMILES for sodium;prop-2-enoic acid;nitrate is C=CC(=O)O.O=[N+]([O-])[O-].[Na+].
What is the InChIKey of sodium;prop-2-enoic acid;nitrate?
The InChIKey is QOQIFCVYPOXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.NO3.Na/c1-2-3(4)5;2-1(3)4;/h2H,1H2,(H,4,5);;/q;-1;+1.
What are the key properties of sodium;prop-2-enoic acid;nitrate?
sodium;prop-2-enoic acid;nitrate has a molecular weight of 157.06 g/mol, XLogP of -2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-2-enoic acid;nitrate is sourced from PubChem (CID 175070026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).