1,3-diazinane-2,4-dione;ethylphosphane

C6H13N2O2P — CID 175109372

IUPAC1,3-diazinane-2,4-dione;ethylphosphane
SMILESCCP.O=C1CCNC(=O)N1
InChIInChI=1S/C4H6N2O2.C2H7P/c7-3-1-2-5-4(8)6-3;1-2-3/h1-2H2,(H2,5,6,7,8);2-3H2,1H3
InChIKeyOAJQQQNZOXVRJX-UHFFFAOYSA-N
MW176.16 g/mol
LogP0.10
Rot. Bonds

About 1,3-diazinane-2,4-dione;ethylphosphane

1,3-diazinane-2,4-dione;ethylphosphane (PubChem CID 175109372) has the molecular formula C6H13N2O2P and a molecular weight of 176.16 g/mol. Its IUPAC name is 1,3-diazinane-2,4-dione;ethylphosphane.

Molecular Properties

Compound Name1,3-diazinane-2,4-dione;ethylphosphane
PubChem CID175109372
Molecular FormulaC6H13N2O2P
Molecular Weight176.16 g/mol
Exact Mass176.07
IUPAC Name1,3-diazinane-2,4-dione;ethylphosphane
SMILESCCP.O=C1CCNC(=O)N1
InChIInChI=1S/C4H6N2O2.C2H7P/c7-3-1-2-5-4(8)6-3;1-2-3/h1-2H2,(H2,5,6,7,8);2-3H2,1H3
InChIKeyOAJQQQNZOXVRJX-UHFFFAOYSA-N
XLogP0.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid
CID 159383622
ethoxyethane;imidazolidin-2-one
CID 143640970
ethane;imidazolidine-2,4-dione
CID 90911393
imidazolidine-2,4-dione;pyrazolidin-3-one
CID 67936630
2-ethyl-2-methylpyrrolidin-3-one
CID 83826189
4-ethyl-4-methylpyrrolidin-2-one
CID 18784903
imidazolidine-2,4-dione;trihydrate
CID 70617866
1,3-diazonane-2,4,9-trione;dihydrate
CID 160784508
copper;imidazolidine-2,4-dione
CID 67120841
dimethylsulfanium;pyrrolidine-2,5-dione;chloride
CID 22025404
(3S)-3-ethyl-3-methylpiperidine-2,6-dione
CID 71423308
pentan-1-amine;pyrrolidine-2,5-dione
CID 122669383

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4-dione;ethylphosphane?
The IUPAC name of 1,3-diazinane-2,4-dione;ethylphosphane (CID 175109372) is 1,3-diazinane-2,4-dione;ethylphosphane.
What is the SMILES notation for 1,3-diazinane-2,4-dione;ethylphosphane?
The canonical SMILES for 1,3-diazinane-2,4-dione;ethylphosphane is CCP.O=C1CCNC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4-dione;ethylphosphane?
The InChIKey is OAJQQQNZOXVRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C2H7P/c7-3-1-2-5-4(8)6-3;1-2-3/h1-2H2,(H2,5,6,7,8);2-3H2,1H3.
What are the key properties of 1,3-diazinane-2,4-dione;ethylphosphane?
1,3-diazinane-2,4-dione;ethylphosphane has a molecular weight of 176.16 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4-dione;ethylphosphane is sourced from PubChem (CID 175109372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).