prop-2-enoic acid azide

C3H4N3O2- — CID 161451795

IUPACprop-2-enoic acid azide
SMILESC=CC(=O)O.[N-]=[N+]=[N-]
InChIInChI=1S/C3H4O2.N3/c1-2-3(4)5;1-3-2/h2H,1H2,(H,4,5);/q;-1
InChIKeyWAPVPDGQJABGKQ-UHFFFAOYSA-N
MW114.08 g/mol
LogP1.12
Rot. Bonds1

About prop-2-enoic acid azide

prop-2-enoic acid azide (PubChem CID 161451795) has the molecular formula C3H4N3O2- and a molecular weight of 114.08 g/mol. Its IUPAC name is prop-2-enoic acid azide.

Molecular Properties

Compound Nameprop-2-enoic acid azide
PubChem CID161451795
Molecular FormulaC3H4N3O2-
Molecular Weight114.08 g/mol
Exact Mass114.03
IUPAC Nameprop-2-enoic acid azide
SMILESC=CC(=O)O.[N-]=[N+]=[N-]
InChIInChI=1S/C3H4O2.N3/c1-2-3(4)5;1-3-2/h2H,1H2,(H,4,5);/q;-1
InChIKeyWAPVPDGQJABGKQ-UHFFFAOYSA-N
XLogP1.12
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
methanol;prop-2-enoic acid
CID 159043362

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid azide?
The IUPAC name of prop-2-enoic acid azide (CID 161451795) is prop-2-enoic acid azide.
What is the SMILES notation for prop-2-enoic acid azide?
The canonical SMILES for prop-2-enoic acid azide is C=CC(=O)O.[N-]=[N+]=[N-].
What is the InChIKey of prop-2-enoic acid azide?
The InChIKey is WAPVPDGQJABGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.N3/c1-2-3(4)5;1-3-2/h2H,1H2,(H,4,5);/q;-1.
What are the key properties of prop-2-enoic acid azide?
prop-2-enoic acid azide has a molecular weight of 114.08 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid azide is sourced from PubChem (CID 161451795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).