3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium

C10H17N2O3Y- — CID 58701790

IUPAC3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium
SMILESNC[CH-]C(=O)N1CCC2(CC1)OCCO2.[Y]
InChIInChI=1S/C10H17N2O3.Y/c11-4-1-9(13)12-5-2-10(3-6-12)14-7-8-15-10;/h1H,2-8,11H2;/q-1;
InChIKeyOAOPWNHROMRNGZ-UHFFFAOYSA-N
MW302.16 g/mol
LogP-0.49
Rot. Bonds2

About 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium

3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium (PubChem CID 58701790) has the molecular formula C10H17N2O3Y- and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium.

Molecular Properties

Compound Name3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium
PubChem CID58701790
Molecular FormulaC10H17N2O3Y-
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium
SMILESNC[CH-]C(=O)N1CCC2(CC1)OCCO2.[Y]
InChIInChI=1S/C10H17N2O3.Y/c11-4-1-9(13)12-5-2-10(3-6-12)14-7-8-15-10;/h1H,2-8,11H2;/q-1;
InChIKeyOAOPWNHROMRNGZ-UHFFFAOYSA-N
XLogP-0.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium?
The IUPAC name of 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium (CID 58701790) is 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium.
What is the SMILES notation for 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium?
The canonical SMILES for 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium is NC[CH-]C(=O)N1CCC2(CC1)OCCO2.[Y].
What is the InChIKey of 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium?
The InChIKey is OAOPWNHROMRNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O3.Y/c11-4-1-9(13)12-5-2-10(3-6-12)14-7-8-15-10;/h1H,2-8,11H2;/q-1;.
What are the key properties of 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium?
3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium has a molecular weight of 302.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium is sourced from PubChem (CID 58701790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).