(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide

C8H13N5O3 — CID 10680797

IUPAC(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide
SMILESCNC(=O)/N=C1/CN(C(=O)NC)C(=O)N1C
InChIInChI=1S/C8H13N5O3/c1-9-6(14)11-5-4-13(7(15)10-2)8(16)12(5)3/h4H2,1-3H3,(H,9,14)(H,10,15)/b11-5-
InChIKeyWCUUJOCHFWDJIE-WZUFQYTHSA-N
MW227.22 g/mol
LogP-0.57
Rot. Bonds

About (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide

(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide (PubChem CID 10680797) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide
PubChem CID10680797
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide
SMILESCNC(=O)/N=C1/CN(C(=O)NC)C(=O)N1C
InChIInChI=1S/C8H13N5O3/c1-9-6(14)11-5-4-13(7(15)10-2)8(16)12(5)3/h4H2,1-3H3,(H,9,14)(H,10,15)/b11-5-
InChIKeyWCUUJOCHFWDJIE-WZUFQYTHSA-N
XLogP-0.57
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1-methyl-3-(3-methyl-5-methylimino-2-oxoimidazolidin-4-ylidene)urea
CID 135788704
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane
CID 91158298
4-Ethyliminoimidazolidin-2-one
CID 140604957
4-Amino-5-imino-1-methylimidazolidin-2-one
CID 163958322
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 91158299
(3Z)-1-methyl-3-(3-methyl-5-methylimino-2-oxoimidazolidin-4-ylidene)urea
CID 135490617
(4E)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxo-5-sulfanylideneimidazolidine-1-carboxamide
CID 177635074

Frequently Asked Questions

What is the IUPAC name of (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide (CID 10680797) is (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide is CNC(=O)/N=C1/CN(C(=O)NC)C(=O)N1C.
What is the InChIKey of (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide?
The InChIKey is WCUUJOCHFWDJIE-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-9-6(14)11-5-4-13(7(15)10-2)8(16)12(5)3/h4H2,1-3H3,(H,9,14)(H,10,15)/b11-5-.
What are the key properties of (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide?
(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 10680797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).