1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione

C13H25N4O3P — CID 143079763

IUPAC1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
SMILESCC.CCN1CC(=O)N(C)C1=O.[H]/P=C1\CN(C)C(=O)N1C
InChIInChI=1S/C6H10N2O2.C5H9N2OP.C2H6/c1-3-8-4-5(9)7(2)6(8)10;1-6-3-4(9)7(2)5(6)8;1-2/h3-4H2,1-2H3;9H,3H2,1-2H3;1-2H3
InChIKeyWGMAKIOTNHIMJZ-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.18
Rot. Bonds1

About 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione

1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione (PubChem CID 143079763) has the molecular formula C13H25N4O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
PubChem CID143079763
Molecular FormulaC13H25N4O3P
Molecular Weight316.34 g/mol
Exact Mass316.17
IUPAC Name1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
SMILESCC.CCN1CC(=O)N(C)C1=O.[H]/P=C1\CN(C)C(=O)N1C
InChIInChI=1S/C6H10N2O2.C5H9N2OP.C2H6/c1-3-8-4-5(9)7(2)6(8)10;1-6-3-4(9)7(2)5(6)8;1-2/h3-4H2,1-2H3;9H,3H2,1-2H3;1-2H3
InChIKeyWGMAKIOTNHIMJZ-UHFFFAOYSA-N
XLogP1.18
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylimidazolidine-2,4-dione;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
CID 142135438
1-butyl-3-methylimidazolidine-2,4-dione;ethane
CID 176672470
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
1-ethyl-3-sulfanylimidazolidine-2,4-dione
CID 142020471
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
1-[[methoxy(methyl)amino]methyl]-3-methylimidazolidine-2,4-dione
CID 131176157
1,3-dimethylimidazolidine-2,4-dione;1,3-dimethyl-4-methylideneimidazolidin-2-one
CID 159940640
1-ethyl-3-tripropylsilylimidazolidine-2,4-dione
CID 140848592
2-imino-3-methyl-1-propylimidazolidin-4-one
CID 45088423
1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
CID 71073934
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
CID 12864692

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione (CID 143079763) is 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione is CC.CCN1CC(=O)N(C)C1=O.[H]/P=C1\CN(C)C(=O)N1C.
What is the InChIKey of 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione?
The InChIKey is WGMAKIOTNHIMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C5H9N2OP.C2H6/c1-3-8-4-5(9)7(2)6(8)10;1-6-3-4(9)7(2)5(6)8;1-2/h3-4H2,1-2H3;9H,3H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione?
1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione has a molecular weight of 316.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-phosphanylideneimidazolidin-2-one;ethane;1-ethyl-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 143079763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).