ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one

C9H19N3O — CID 156893057

IUPACethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
SMILESCC.[H]/N=C1/C(C)N(CC)C(=O)N1C
InChIInChI=1S/C7H13N3O.C2H6/c1-4-10-5(2)6(8)9(3)7(10)11;1-2/h5,8H,4H2,1-3H3;1-2H3/b8-6-;
InChIKeyKEYZWRUDWVUYEU-PHZXCRFESA-N
MW185.27 g/mol
LogP1.77
Rot. Bonds1

About ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one

ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one (PubChem CID 156893057) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
PubChem CID156893057
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Nameethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
SMILESCC.[H]/N=C1/C(C)N(CC)C(=O)N1C
InChIInChI=1S/C7H13N3O.C2H6/c1-4-10-5(2)6(8)9(3)7(10)11;1-2/h5,8H,4H2,1-3H3;1-2H3/b8-6-;
InChIKeyKEYZWRUDWVUYEU-PHZXCRFESA-N
XLogP1.77
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
The IUPAC name of ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one (CID 156893057) is ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one.
What is the SMILES notation for ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
The canonical SMILES for ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one is CC.[H]/N=C1/C(C)N(CC)C(=O)N1C.
What is the InChIKey of ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
The InChIKey is KEYZWRUDWVUYEU-PHZXCRFESA-N. The full InChI is InChI=1S/C7H13N3O.C2H6/c1-4-10-5(2)6(8)9(3)7(10)11;1-2/h5,8H,4H2,1-3H3;1-2H3/b8-6-;.
What are the key properties of ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 156893057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).