(prop-2-enoylamino)azanium chloride

C3H7ClN2O — CID 141275202

IUPAC(prop-2-enoylamino)azanium chloride
SMILESC=CC(=O)N[NH3+].[Cl-]
InChIInChI=1S/C3H6N2O.ClH/c1-2-3(6)5-4;/h2H,1,4H2,(H,5,6);1H
InChIKeyRERYAUXONVNXSK-UHFFFAOYSA-N
MW122.55 g/mol
LogP-4.55
Rot. Bonds1

About (prop-2-enoylamino)azanium chloride

(prop-2-enoylamino)azanium chloride (PubChem CID 141275202) has the molecular formula C3H7ClN2O and a molecular weight of 122.55 g/mol. Its IUPAC name is (prop-2-enoylamino)azanium chloride.

Molecular Properties

Compound Name(prop-2-enoylamino)azanium chloride
PubChem CID141275202
Molecular FormulaC3H7ClN2O
Molecular Weight122.55 g/mol
Exact Mass122.02
IUPAC Name(prop-2-enoylamino)azanium chloride
SMILESC=CC(=O)N[NH3+].[Cl-]
InChIInChI=1S/C3H6N2O.ClH/c1-2-3(6)5-4;/h2H,1,4H2,(H,5,6);1H
InChIKeyRERYAUXONVNXSK-UHFFFAOYSA-N
XLogP-4.55
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.55
LogP ≤ 5-4.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (prop-2-enoylamino)azanium chloride?
The IUPAC name of (prop-2-enoylamino)azanium chloride (CID 141275202) is (prop-2-enoylamino)azanium chloride.
What is the SMILES notation for (prop-2-enoylamino)azanium chloride?
The canonical SMILES for (prop-2-enoylamino)azanium chloride is C=CC(=O)N[NH3+].[Cl-].
What is the InChIKey of (prop-2-enoylamino)azanium chloride?
The InChIKey is RERYAUXONVNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.ClH/c1-2-3(6)5-4;/h2H,1,4H2,(H,5,6);1H.
What are the key properties of (prop-2-enoylamino)azanium chloride?
(prop-2-enoylamino)azanium chloride has a molecular weight of 122.55 g/mol, XLogP of -4.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-2-enoylamino)azanium chloride is sourced from PubChem (CID 141275202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).