1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone

C10H14N2O4 — CID 66908146

IUPAC1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone
SMILESCC(C)CCCN1C(=O)NC(=O)C(=O)C1=O
InChIInChI=1S/C10H14N2O4/c1-6(2)4-3-5-12-9(15)7(13)8(14)11-10(12)16/h6H,3-5H2,1-2H3,(H,11,14,16)
InChIKeyHOVPQPCWTRCIAZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.07
Rot. Bonds4

About 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone

1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone (PubChem CID 66908146) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone.

Molecular Properties

Compound Name1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone
PubChem CID66908146
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone
SMILESCC(C)CCCN1C(=O)NC(=O)C(=O)C1=O
InChIInChI=1S/C10H14N2O4/c1-6(2)4-3-5-12-9(15)7(13)8(14)11-10(12)16/h6H,3-5H2,1-2H3,(H,11,14,16)
InChIKeyHOVPQPCWTRCIAZ-UHFFFAOYSA-N
XLogP0.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone?
The IUPAC name of 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone (CID 66908146) is 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone.
What is the SMILES notation for 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone?
The canonical SMILES for 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone is CC(C)CCCN1C(=O)NC(=O)C(=O)C1=O.
What is the InChIKey of 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone?
The InChIKey is HOVPQPCWTRCIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(2)4-3-5-12-9(15)7(13)8(14)11-10(12)16/h6H,3-5H2,1-2H3,(H,11,14,16).
What are the key properties of 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone?
1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone has a molecular weight of 226.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone is sourced from PubChem (CID 66908146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).