5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium

C6H8N3O2Y- — CID 58120419

IUPAC5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium
SMILES[CH2-]C1CC(CN=[N+]=[N-])OC1=O.[Y]
InChIInChI=1S/C6H8N3O2.Y/c1-4-2-5(3-8-9-7)11-6(4)10;/h4-5H,1-3H2;/q-1;
InChIKeyHOTBRSBLKPDYAJ-UHFFFAOYSA-N
MW243.05 g/mol
LogP1.06
Rot. Bonds2

About 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium

5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium (PubChem CID 58120419) has the molecular formula C6H8N3O2Y- and a molecular weight of 243.05 g/mol. Its IUPAC name is 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium.

Molecular Properties

Compound Name5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium
PubChem CID58120419
Molecular FormulaC6H8N3O2Y-
Molecular Weight243.05 g/mol
Exact Mass242.97
IUPAC Name5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium
SMILES[CH2-]C1CC(CN=[N+]=[N-])OC1=O.[Y]
InChIInChI=1S/C6H8N3O2.Y/c1-4-2-5(3-8-9-7)11-6(4)10;/h4-5H,1-3H2;/q-1;
InChIKeyHOTBRSBLKPDYAJ-UHFFFAOYSA-N
XLogP1.06
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(Azidomethyl)oxolan-2-one
CID 13416682
(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one
CID 11051758
2(3H)-Furanone, 5-(azidomethyl)dihydro-, (S)-
CID 11126355
(5R)-5-(azidomethyl)oxolan-2-one
CID 13416683
5-Azido-2,3,5-trideoxy-3-C-methyl-D-erythro-pentono-1,4-lactone
CID 130761496
(4S,5S)-5-(azidomethyl)-4-(deuteriomethyl)oxolan-2-one
CID 139776971
(4R,5S)-5-(azidomethyl)-4-(deuteriomethyl)oxolan-2-one
CID 139776973
5-(Azidomethyl)-3-methyloxolan-2-one
CID 10975715
(3S,5R)-5-(azidomethyl)-3-methyloxolan-2-one
CID 11008154
(3S,5S)-5-(azidomethyl)-3-methyloxolan-2-one
CID 21681659
(3R,5S)-5-(azidomethyl)-3-methyloxolan-2-one
CID 23256083
5-(Azidomethyl)-3,3-diethyloxolan-2-one
CID 71348630

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium?
The IUPAC name of 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium (CID 58120419) is 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium.
What is the SMILES notation for 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium?
The canonical SMILES for 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium is [CH2-]C1CC(CN=[N+]=[N-])OC1=O.[Y].
What is the InChIKey of 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium?
The InChIKey is HOTBRSBLKPDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3O2.Y/c1-4-2-5(3-8-9-7)11-6(4)10;/h4-5H,1-3H2;/q-1;.
What are the key properties of 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium?
5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium has a molecular weight of 243.05 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-methanidyloxolan-2-one;yttrium is sourced from PubChem (CID 58120419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).