N'-hydroxy-2-(oxolan-3-yl)ethanimidamide

C6H12N2O2 — CID 109375750

IUPACN'-hydroxy-2-(oxolan-3-yl)ethanimidamide
SMILESN/C(CC1CCOC1)=N\O
InChIInChI=1S/C6H12N2O2/c7-6(8-9)3-5-1-2-10-4-5/h5,9H,1-4H2,(H2,7,8)
InChIKeyHZMXZQYNPLTPFA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.16
Rot. Bonds2

About N'-hydroxy-2-(oxolan-3-yl)ethanimidamide

N'-hydroxy-2-(oxolan-3-yl)ethanimidamide (PubChem CID 109375750) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N'-hydroxy-2-(oxolan-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxolan-3-yl)ethanimidamide
PubChem CID109375750
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN'-hydroxy-2-(oxolan-3-yl)ethanimidamide
SMILESN/C(CC1CCOC1)=N\O
InChIInChI=1S/C6H12N2O2/c7-6(8-9)3-5-1-2-10-4-5/h5,9H,1-4H2,(H2,7,8)
InChIKeyHZMXZQYNPLTPFA-UHFFFAOYSA-N
XLogP0.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76929039
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 77038077
N'-hydroxy-4-(oxolan-3-ylamino)butanimidamide
CID 80713618
[(3S)-oxolan-3-yl]methylthiourea
CID 155092618

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxolan-3-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(oxolan-3-yl)ethanimidamide (CID 109375750) is N'-hydroxy-2-(oxolan-3-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(oxolan-3-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(oxolan-3-yl)ethanimidamide is N/C(CC1CCOC1)=N\O.
What is the InChIKey of N'-hydroxy-2-(oxolan-3-yl)ethanimidamide?
The InChIKey is HZMXZQYNPLTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6(8-9)3-5-1-2-10-4-5/h5,9H,1-4H2,(H2,7,8).
What are the key properties of N'-hydroxy-2-(oxolan-3-yl)ethanimidamide?
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide has a molecular weight of 144.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(oxolan-3-yl)ethanimidamide is sourced from PubChem (CID 109375750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).