carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium

C12H24N2O2Y-2 — CID 59190057

IUPACcarbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium
SMILES[CH2-]OCC(C(C)C)N1CCC(NC)C1=O.[CH3-].[Y]
InChIInChI=1S/C11H21N2O2.CH3.Y/c1-8(2)10(7-15-4)13-6-5-9(12-3)11(13)14;;/h8-10,12H,4-7H2,1-3H3;1H3;/q2*-1;
InChIKeyRGIXMNTYJPNDKP-UHFFFAOYSA-N
MW317.24 g/mol
LogP1.09
Rot. Bonds5

About carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium

carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium (PubChem CID 59190057) has the molecular formula C12H24N2O2Y-2 and a molecular weight of 317.24 g/mol. Its IUPAC name is carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium.

Molecular Properties

Compound Namecarbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium
PubChem CID59190057
Molecular FormulaC12H24N2O2Y-2
Molecular Weight317.24 g/mol
Exact Mass317.09
IUPAC Namecarbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium
SMILES[CH2-]OCC(C(C)C)N1CCC(NC)C1=O.[CH3-].[Y]
InChIInChI=1S/C11H21N2O2.CH3.Y/c1-8(2)10(7-15-4)13-6-5-9(12-3)11(13)14;;/h8-10,12H,4-7H2,1-3H3;1H3;/q2*-1;
InChIKeyRGIXMNTYJPNDKP-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium?
The IUPAC name of carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium (CID 59190057) is carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium.
What is the SMILES notation for carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium?
The canonical SMILES for carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium is [CH2-]OCC(C(C)C)N1CCC(NC)C1=O.[CH3-].[Y].
What is the InChIKey of carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium?
The InChIKey is RGIXMNTYJPNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2.CH3.Y/c1-8(2)10(7-15-4)13-6-5-9(12-3)11(13)14;;/h8-10,12H,4-7H2,1-3H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium?
carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium has a molecular weight of 317.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium is sourced from PubChem (CID 59190057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).