N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide

C10H18N2O3 — CID 77071194

IUPACN'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide
SMILESNC(CC1(COC2CCOC2)CC1)=NO
InChIInChI=1S/C10H18N2O3/c11-9(12-13)5-10(2-3-10)7-15-8-1-4-14-6-8/h8,13H,1-7H2,(H2,11,12)
InChIKeyXYSULMJKZSNPJT-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.71
Rot. Bonds5

About N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide (PubChem CID 77071194) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide
PubChem CID77071194
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide
SMILESNC(CC1(COC2CCOC2)CC1)=NO
InChIInChI=1S/C10H18N2O3/c11-9(12-13)5-10(2-3-10)7-15-8-1-4-14-6-8/h8,13H,1-7H2,(H2,11,12)
InChIKeyXYSULMJKZSNPJT-UHFFFAOYSA-N
XLogP0.71
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77124832
1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine
CID 131036407
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
1-(oxolan-3-yloxymethyl)cyclobutane-1-carbonitrile
CID 126982214
N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide
CID 113426971
N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
CID 66370671
2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
CID 114987791
ethane;3-ethoxyoxolane
CID 142523367

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide (CID 77071194) is N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide is NC(CC1(COC2CCOC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide?
The InChIKey is XYSULMJKZSNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-9(12-13)5-10(2-3-10)7-15-8-1-4-14-6-8/h8,13H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide has a molecular weight of 214.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).