1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide

C11H18N4O2 — CID 136999161

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
SMILESCC1(C)CCC(Cn2ccnc2/C(N)=N/O)O1
InChIInChI=1S/C11H18N4O2/c1-11(2)4-3-8(17-11)7-15-6-5-13-10(15)9(12)14-16/h5-6,8,16H,3-4,7H2,1-2H3,(H2,12,14)
InChIKeyQPSRPXPQKGPYAW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.94
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide

1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide (PubChem CID 136999161) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
PubChem CID136999161
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
SMILESCC1(C)CCC(Cn2ccnc2/C(N)=N/O)O1
InChIInChI=1S/C11H18N4O2/c1-11(2)4-3-8(17-11)7-15-6-5-13-10(15)9(12)14-16/h5-6,8,16H,3-4,7H2,1-2H3,(H2,12,14)
InChIKeyQPSRPXPQKGPYAW-UHFFFAOYSA-N
XLogP0.94
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide (CID 136999161) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide is CC1(C)CCC(Cn2ccnc2/C(N)=N/O)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
The InChIKey is QPSRPXPQKGPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2)4-3-8(17-11)7-15-6-5-13-10(15)9(12)14-16/h5-6,8,16H,3-4,7H2,1-2H3,(H2,12,14).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide is sourced from PubChem (CID 136999161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).