methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium

C19H28N2O4Y — CID 162162945

IUPACmethane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium
SMILESC.CC1CCC(N2C(=O)C3(CCC4(CC3)C(=O)N(C)C4=O)C2=O)CC1.[Y]
InChIInChI=1S/C18H24N2O4.CH4.Y/c1-11-3-5-12(6-4-11)20-15(23)18(16(20)24)9-7-17(8-10-18)13(21)19(2)14(17)22;;/h11-12H,3-10H2,1-2H3;1H4;
InChIKeyZMSSEYFTCBXTDI-UHFFFAOYSA-N
MW437.35 g/mol
LogP2.11
Rot. Bonds1

About methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium

methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium (PubChem CID 162162945) has the molecular formula C19H28N2O4Y and a molecular weight of 437.35 g/mol. Its IUPAC name is methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium.

Molecular Properties

Compound Namemethane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium
PubChem CID162162945
Molecular FormulaC19H28N2O4Y
Molecular Weight437.35 g/mol
Exact Mass437.11
IUPAC Namemethane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium
SMILESC.CC1CCC(N2C(=O)C3(CCC4(CC3)C(=O)N(C)C4=O)C2=O)CC1.[Y]
InChIInChI=1S/C18H24N2O4.CH4.Y/c1-11-3-5-12(6-4-11)20-15(23)18(16(20)24)9-7-17(8-10-18)13(21)19(2)14(17)22;;/h11-12H,3-10H2,1-2H3;1H4;
InChIKeyZMSSEYFTCBXTDI-UHFFFAOYSA-N
XLogP2.11
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium?
The IUPAC name of methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium (CID 162162945) is methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium.
What is the SMILES notation for methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium?
The canonical SMILES for methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium is C.CC1CCC(N2C(=O)C3(CCC4(CC3)C(=O)N(C)C4=O)C2=O)CC1.[Y].
What is the InChIKey of methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium?
The InChIKey is ZMSSEYFTCBXTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4.CH4.Y/c1-11-3-5-12(6-4-11)20-15(23)18(16(20)24)9-7-17(8-10-18)13(21)19(2)14(17)22;;/h11-12H,3-10H2,1-2H3;1H4;.
What are the key properties of methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium?
methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium has a molecular weight of 437.35 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium is sourced from PubChem (CID 162162945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).