N'-hydroxycyclopropanecarboximidamide;hydrochloride

C4H9ClN2O — CID 53395019

IUPACN'-hydroxycyclopropanecarboximidamide;hydrochloride
SMILESCl.NC(=NO)C1CC1
InChIInChI=1S/C4H8N2O.ClH/c5-4(6-7)3-1-2-3;/h3,7H,1-2H2,(H2,5,6);1H
InChIKeyCJLAICCBOIZZFF-UHFFFAOYSA-N
MW136.58 g/mol
LogP0.56
Rot. Bonds1

About N'-hydroxycyclopropanecarboximidamide;hydrochloride

N'-hydroxycyclopropanecarboximidamide;hydrochloride (PubChem CID 53395019) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is N'-hydroxycyclopropanecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-hydroxycyclopropanecarboximidamide;hydrochloride
PubChem CID53395019
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC NameN'-hydroxycyclopropanecarboximidamide;hydrochloride
SMILESCl.NC(=NO)C1CC1
InChIInChI=1S/C4H8N2O.ClH/c5-4(6-7)3-1-2-3;/h3,7H,1-2H2,(H2,5,6);1H
InChIKeyCJLAICCBOIZZFF-UHFFFAOYSA-N
XLogP0.56
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 50.56
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'}, {'alert_name': 'oxime_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 N'-hydroxycyclopropanecarboximidamide;hydrochloride?
The IUPAC name of N'-hydroxycyclopropanecarboximidamide;hydrochloride (CID 53395019) is N'-hydroxycyclopropanecarboximidamide;hydrochloride.
What is the SMILES notation for N'-hydroxycyclopropanecarboximidamide;hydrochloride?
The canonical SMILES for N'-hydroxycyclopropanecarboximidamide;hydrochloride is Cl.NC(=NO)C1CC1.
What is the InChIKey of N'-hydroxycyclopropanecarboximidamide;hydrochloride?
The InChIKey is CJLAICCBOIZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c5-4(6-7)3-1-2-3;/h3,7H,1-2H2,(H2,5,6);1H.
What are the key properties of N'-hydroxycyclopropanecarboximidamide;hydrochloride?
N'-hydroxycyclopropanecarboximidamide;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxycyclopropanecarboximidamide;hydrochloride is sourced from PubChem (CID 53395019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).