CID 169145668

C11H23InN3O2 — CID 169145668

IUPAC—
SMILESCCC(C)N1CCCC2(C1)NC(=O)NC2=O.[H][H].[H][H].[In]
InChIInChI=1S/C11H19N3O2.In.2H2/c1-3-8(2)14-6-4-5-11(7-14)9(15)12-10(16)13-11;;;/h8H,3-7H2,1-2H3,(H2,12,13,15,16);;2*1H
InChIKeyUZAZSNYFZBSCNH-UHFFFAOYSA-N
MW344.14 g/mol
LogP0.57
Rot. Bonds2

About CID 169145668

CID 169145668 (PubChem CID 169145668) has the molecular formula C11H23InN3O2 and a molecular weight of 344.14 g/mol.

Molecular Properties

Compound NameCID 169145668
PubChem CID169145668
Molecular FormulaC11H23InN3O2
Molecular Weight344.14 g/mol
Exact Mass344.08
IUPAC Name—
SMILESCCC(C)N1CCCC2(C1)NC(=O)NC2=O.[H][H].[H][H].[In]
InChIInChI=1S/C11H19N3O2.In.2H2/c1-3-8(2)14-6-4-5-11(7-14)9(15)12-10(16)13-11;;;/h8H,3-7H2,1-2H3,(H2,12,13,15,16);;2*1H
InChIKeyUZAZSNYFZBSCNH-UHFFFAOYSA-N
XLogP0.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
(5R)-6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 5389126
Barbituric acid, 5-ethyl-5-(1-pyrrolidinyl)-
CID 3088069
1,3,7-Triazaspiro(4.5)decane-2,4-dione
CID 12652263
Tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.5]decane-7-carboxylate
CID 42614218
5-Methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
CID 56709706
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 24979519
5,5-Dimethyl-3-piperidin-1-ylmethyl-imidazolidine-2,4-dione
CID 694448
8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30545070
8-Isobutyryl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109420

Frequently Asked Questions

What is the IUPAC name of CID 169145668?
The IUPAC name of CID 169145668 (CID 169145668) is not available.
What is the SMILES notation for CID 169145668?
The canonical SMILES for CID 169145668 is CCC(C)N1CCCC2(C1)NC(=O)NC2=O.[H][H].[H][H].[In].
What is the InChIKey of CID 169145668?
The InChIKey is UZAZSNYFZBSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.In.2H2/c1-3-8(2)14-6-4-5-11(7-14)9(15)12-10(16)13-11;;;/h8H,3-7H2,1-2H3,(H2,12,13,15,16);;2*1H.
What are the key properties of CID 169145668?
CID 169145668 has a molecular weight of 344.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169145668 is sourced from PubChem (CID 169145668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).