(3-cyanooxolan-3-yl)-methanidylazanium

C6H10N2O — CID 155624877

IUPAC(3-cyanooxolan-3-yl)-methanidylazanium
SMILES[CH2-][NH2+]C1(C#N)CCOC1
InChIInChI=1S/C6H10N2O/c1-8-6(4-7)2-3-9-5-6/h1-3,5,8H2
InChIKeyYIUUNYIERSRUEE-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.98
Rot. Bonds1

About (3-cyanooxolan-3-yl)-methanidylazanium

(3-cyanooxolan-3-yl)-methanidylazanium (PubChem CID 155624877) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3-cyanooxolan-3-yl)-methanidylazanium.

Molecular Properties

Compound Name(3-cyanooxolan-3-yl)-methanidylazanium
PubChem CID155624877
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3-cyanooxolan-3-yl)-methanidylazanium
SMILES[CH2-][NH2+]C1(C#N)CCOC1
InChIInChI=1S/C6H10N2O/c1-8-6(4-7)2-3-9-5-6/h1-3,5,8H2
InChIKeyYIUUNYIERSRUEE-UHFFFAOYSA-N
XLogP-0.98
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-cyanooxolan-3-yl)-methanidylazanium?
The IUPAC name of (3-cyanooxolan-3-yl)-methanidylazanium (CID 155624877) is (3-cyanooxolan-3-yl)-methanidylazanium.
What is the SMILES notation for (3-cyanooxolan-3-yl)-methanidylazanium?
The canonical SMILES for (3-cyanooxolan-3-yl)-methanidylazanium is [CH2-][NH2+]C1(C#N)CCOC1.
What is the InChIKey of (3-cyanooxolan-3-yl)-methanidylazanium?
The InChIKey is YIUUNYIERSRUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-8-6(4-7)2-3-9-5-6/h1-3,5,8H2.
What are the key properties of (3-cyanooxolan-3-yl)-methanidylazanium?
(3-cyanooxolan-3-yl)-methanidylazanium has a molecular weight of 126.16 g/mol, XLogP of -0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanooxolan-3-yl)-methanidylazanium is sourced from PubChem (CID 155624877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).