N'-hydroxy-1-methylcyclopropane-1-carboximidamide

C5H10N2O — CID 88873900

IUPACN'-hydroxy-1-methylcyclopropane-1-carboximidamide
SMILESCC1(/C(N)=N/O)CC1
InChIInChI=1S/C5H10N2O/c1-5(2-3-5)4(6)7-8/h8H,2-3H2,1H3,(H2,6,7)
InChIKeyXOKBRZCNKAYJQA-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.53
Rot. Bonds1

About N'-hydroxy-1-methylcyclopropane-1-carboximidamide

N'-hydroxy-1-methylcyclopropane-1-carboximidamide (PubChem CID 88873900) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N'-hydroxy-1-methylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methylcyclopropane-1-carboximidamide
PubChem CID88873900
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN'-hydroxy-1-methylcyclopropane-1-carboximidamide
SMILESCC1(/C(N)=N/O)CC1
InChIInChI=1S/C5H10N2O/c1-5(2-3-5)4(6)7-8/h8H,2-3H2,1H3,(H2,6,7)
InChIKeyXOKBRZCNKAYJQA-UHFFFAOYSA-N
XLogP0.53
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.53
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'-hydroxy-1-methylcyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-methylcyclopropane-1-carboximidamide (CID 88873900) is N'-hydroxy-1-methylcyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methylcyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methylcyclopropane-1-carboximidamide is CC1(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-1-methylcyclopropane-1-carboximidamide?
The InChIKey is XOKBRZCNKAYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(2-3-5)4(6)7-8/h8H,2-3H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxy-1-methylcyclopropane-1-carboximidamide?
N'-hydroxy-1-methylcyclopropane-1-carboximidamide has a molecular weight of 114.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methylcyclopropane-1-carboximidamide is sourced from PubChem (CID 88873900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).