carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium

C10H18N2OSY-2 — CID 58245597

IUPACcarbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium
SMILESCCN1C(=O)CSC12CC[N-]CC2.[CH3-].[Y]
InChIInChI=1S/C9H15N2OS.CH3.Y/c1-2-11-8(12)7-13-9(11)3-5-10-6-4-9;;/h2-7H2,1H3;1H3;/q2*-1;
InChIKeyKTYPRGTZQJQPJH-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.89
Rot. Bonds1

About carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium

carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium (PubChem CID 58245597) has the molecular formula C10H18N2OSY-2 and a molecular weight of 303.24 g/mol. Its IUPAC name is carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium.

Molecular Properties

Compound Namecarbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium
PubChem CID58245597
Molecular FormulaC10H18N2OSY-2
Molecular Weight303.24 g/mol
Exact Mass303.02
IUPAC Namecarbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium
SMILESCCN1C(=O)CSC12CC[N-]CC2.[CH3-].[Y]
InChIInChI=1S/C9H15N2OS.CH3.Y/c1-2-11-8(12)7-13-9(11)3-5-10-6-4-9;;/h2-7H2,1H3;1H3;/q2*-1;
InChIKeyKTYPRGTZQJQPJH-UHFFFAOYSA-N
XLogP1.89
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
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 carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium?
The IUPAC name of carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium (CID 58245597) is carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium.
What is the SMILES notation for carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium?
The canonical SMILES for carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium is CCN1C(=O)CSC12CC[N-]CC2.[CH3-].[Y].
What is the InChIKey of carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium?
The InChIKey is KTYPRGTZQJQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2OS.CH3.Y/c1-2-11-8(12)7-13-9(11)3-5-10-6-4-9;;/h2-7H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium?
carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium has a molecular weight of 303.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium is sourced from PubChem (CID 58245597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).