4-(aminooxymethyl)oxane-4-carbonitrile

C7H12N2O2 — CID 167072211

IUPAC4-(aminooxymethyl)oxane-4-carbonitrile
SMILESN#CC1(CON)CCOCC1
InChIInChI=1S/C7H12N2O2/c8-5-7(6-11-9)1-3-10-4-2-7/h1-4,6,9H2
InChIKeyCRWDHYUAGBZTBH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.20
Rot. Bonds2

About 4-(aminooxymethyl)oxane-4-carbonitrile

4-(aminooxymethyl)oxane-4-carbonitrile (PubChem CID 167072211) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(aminooxymethyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(aminooxymethyl)oxane-4-carbonitrile
PubChem CID167072211
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-(aminooxymethyl)oxane-4-carbonitrile
SMILESN#CC1(CON)CCOCC1
InChIInChI=1S/C7H12N2O2/c8-5-7(6-11-9)1-3-10-4-2-7/h1-4,6,9H2
InChIKeyCRWDHYUAGBZTBH-UHFFFAOYSA-N
XLogP0.20
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
(4-cyanooxan-4-yl)methyl 3-bromothiophene-2-carboxylate
CID 86785613
4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile
CID 65395208
(4-cyanooxan-4-yl)methanesulfonamide
CID 75480673
4-butyloxane-4-carbonitrile
CID 65392922
4-(3,3-dimethylbutyl)oxane-4-carbonitrile
CID 65393336
(1-cyanocyclopropyl)methyl carbamate
CID 141209968
sodium (4-cyanooxan-4-yl)methanesulfinate
CID 165449640
(4-cyanooxan-4-yl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 86794963
(4-cyanooxan-4-yl)methyl 5-phenylpyridine-3-carboxylate
CID 75518661
4-[(2,4,6-trimethylphenyl)methyl]oxane-4-carbonitrile
CID 65395205
(4-cyanooxan-4-yl)methyl 1H-indazole-7-carboxylate
CID 84599589

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)oxane-4-carbonitrile?
The IUPAC name of 4-(aminooxymethyl)oxane-4-carbonitrile (CID 167072211) is 4-(aminooxymethyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(aminooxymethyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(aminooxymethyl)oxane-4-carbonitrile is N#CC1(CON)CCOCC1.
What is the InChIKey of 4-(aminooxymethyl)oxane-4-carbonitrile?
The InChIKey is CRWDHYUAGBZTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-5-7(6-11-9)1-3-10-4-2-7/h1-4,6,9H2.
What are the key properties of 4-(aminooxymethyl)oxane-4-carbonitrile?
4-(aminooxymethyl)oxane-4-carbonitrile has a molecular weight of 156.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)oxane-4-carbonitrile is sourced from PubChem (CID 167072211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).