2-cyclopropyl-2-oxoethanimidamide;hydrochloride

C5H9ClN2O — CID 55283804

IUPAC2-cyclopropyl-2-oxoethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(=O)C1CC1
InChIInChI=1S/C5H8N2O.ClH/c6-5(7)4(8)3-1-2-3;/h3H,1-2H2,(H3,6,7);1H
InChIKeyUGVXZVBDCZFYRL-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.32
Rot. Bonds2

About 2-cyclopropyl-2-oxoethanimidamide;hydrochloride

2-cyclopropyl-2-oxoethanimidamide;hydrochloride (PubChem CID 55283804) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 2-cyclopropyl-2-oxoethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-2-oxoethanimidamide;hydrochloride
PubChem CID55283804
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name2-cyclopropyl-2-oxoethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(=O)C1CC1
InChIInChI=1S/C5H8N2O.ClH/c6-5(7)4(8)3-1-2-3;/h3H,1-2H2,(H3,6,7);1H
InChIKeyUGVXZVBDCZFYRL-UHFFFAOYSA-N
XLogP0.32
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-oxoethanimidamide;hydrochloride?
The IUPAC name of 2-cyclopropyl-2-oxoethanimidamide;hydrochloride (CID 55283804) is 2-cyclopropyl-2-oxoethanimidamide;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-2-oxoethanimidamide;hydrochloride?
The canonical SMILES for 2-cyclopropyl-2-oxoethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-oxoethanimidamide;hydrochloride?
The InChIKey is UGVXZVBDCZFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c6-5(7)4(8)3-1-2-3;/h3H,1-2H2,(H3,6,7);1H.
What are the key properties of 2-cyclopropyl-2-oxoethanimidamide;hydrochloride?
2-cyclopropyl-2-oxoethanimidamide;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-oxoethanimidamide;hydrochloride is sourced from PubChem (CID 55283804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).