azane;prop-2-enoic acid

C3H25N7O2 — CID 173158019

IUPACazane;prop-2-enoic acid
SMILESC=CC(=O)O.N.N.N.N.N.N.N
InChIInChI=1S/C3H4O2.7H3N/c1-2-3(4)5;;;;;;;/h2H,1H2,(H,4,5);7*1H3
InChIKeyBFUOIPSKEITXNN-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.39
Rot. Bonds1

About azane;prop-2-enoic acid

azane;prop-2-enoic acid (PubChem CID 173158019) has the molecular formula C3H25N7O2 and a molecular weight of 191.28 g/mol. Its IUPAC name is azane;prop-2-enoic acid.

Molecular Properties

Compound Nameazane;prop-2-enoic acid
PubChem CID173158019
Molecular FormulaC3H25N7O2
Molecular Weight191.28 g/mol
Exact Mass191.21
IUPAC Nameazane;prop-2-enoic acid
SMILESC=CC(=O)O.N.N.N.N.N.N.N
InChIInChI=1S/C3H4O2.7H3N/c1-2-3(4)5;;;;;;;/h2H,1H2,(H,4,5);7*1H3
InChIKeyBFUOIPSKEITXNN-UHFFFAOYSA-N
XLogP1.39
TPSA282.30 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500191.28
LogP ≤ 51.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
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
potassium;prop-2-enoic acid;hydroxide
CID 23712932
calcium;prop-2-enoic acid;dichloride
CID 172857747

Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enoic acid?
The IUPAC name of azane;prop-2-enoic acid (CID 173158019) is azane;prop-2-enoic acid.
What is the SMILES notation for azane;prop-2-enoic acid?
The canonical SMILES for azane;prop-2-enoic acid is C=CC(=O)O.N.N.N.N.N.N.N.
What is the InChIKey of azane;prop-2-enoic acid?
The InChIKey is BFUOIPSKEITXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.7H3N/c1-2-3(4)5;;;;;;;/h2H,1H2,(H,4,5);7*1H3.
What are the key properties of azane;prop-2-enoic acid?
azane;prop-2-enoic acid has a molecular weight of 191.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enoic acid is sourced from PubChem (CID 173158019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).