CID 59061380

C12H20N3O3 — CID 59061380

IUPAC—
SMILESCN1C(=O)NC2(CC(C)(C)N([O])C(C)(C)C2)C1=O
InChIInChI=1S/C12H20N3O3/c1-10(2)6-12(7-11(3,4)15(10)18)8(16)14(5)9(17)13-12/h6-7H2,1-5H3,(H,13,17)
InChIKeyJPEXTSOJNVDJME-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.91
Rot. Bonds

About CID 59061380

CID 59061380 (PubChem CID 59061380) has the molecular formula C12H20N3O3 and a molecular weight of 254.31 g/mol.

Molecular Properties

Compound NameCID 59061380
PubChem CID59061380
Molecular FormulaC12H20N3O3
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name—
SMILESCN1C(=O)NC2(CC(C)(C)N([O])C(C)(C)C2)C1=O
InChIInChI=1S/C12H20N3O3/c1-10(2)6-12(7-11(3,4)15(10)18)8(16)14(5)9(17)13-12/h6-7H2,1-5H3,(H,13,17)
InChIKeyJPEXTSOJNVDJME-UHFFFAOYSA-N
XLogP0.91
TPSA72.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate
CID 70593591
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CID 82148895
5,5-diiodo-3-methylimidazolidine-2,4-dione
CID 163809160
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione
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3,5-dimethyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
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Tempone
CID 520789

Frequently Asked Questions

What is the IUPAC name of CID 59061380?
The IUPAC name of CID 59061380 (CID 59061380) is not available.
What is the SMILES notation for CID 59061380?
The canonical SMILES for CID 59061380 is CN1C(=O)NC2(CC(C)(C)N([O])C(C)(C)C2)C1=O.
What is the InChIKey of CID 59061380?
The InChIKey is JPEXTSOJNVDJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N3O3/c1-10(2)6-12(7-11(3,4)15(10)18)8(16)14(5)9(17)13-12/h6-7H2,1-5H3,(H,13,17).
What are the key properties of CID 59061380?
CID 59061380 has a molecular weight of 254.31 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59061380 is sourced from PubChem (CID 59061380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).