2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile

C7H9N3O2 — CID 84765176

IUPAC2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile
SMILESCN1C(=O)C(CC#N)N(C)C1=O
InChIInChI=1S/C7H9N3O2/c1-9-5(3-4-8)6(11)10(2)7(9)12/h5H,3H2,1-2H3
InChIKeyGHZZHWRSUZJXMV-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.21
Rot. Bonds1

About 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile (PubChem CID 84765176) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile
PubChem CID84765176
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile
SMILESCN1C(=O)C(CC#N)N(C)C1=O
InChIInChI=1S/C7H9N3O2/c1-9-5(3-4-8)6(11)10(2)7(9)12/h5H,3H2,1-2H3
InChIKeyGHZZHWRSUZJXMV-UHFFFAOYSA-N
XLogP-0.21
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87233904
5-(2,2-dimethylpropyl)-1,3-dimethylimidazolidine-2,4-dione
CID 130995825
(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
CID 101042940
(5R)-1,3-dimethyl-5-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 131844513
2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 23044137
(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 97110330
2-[1-(2-bromophenyl)-4,5-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84604841
(1R,2R,7R,8R)-7-fluoro-3,5,10,12-tetramethyl-4,6,9,11-tetraoxo-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-1-carbonitrile
CID 101160650
(1S,2S,7S,8S)-3,5,10,12-tetramethyl-4,6,9,11-tetraoxo-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-1-carbonitrile
CID 101160655
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
CID 74684234
2-(1,7-dimethyl-2-oxo-3H-indol-3-yl)acetonitrile
CID 102571164
2-[1-(3-bromo-4-methylphenyl)-4,5-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84610682

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile?
The IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile (CID 84765176) is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile is CN1C(=O)C(CC#N)N(C)C1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile?
The InChIKey is GHZZHWRSUZJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-9-5(3-4-8)6(11)10(2)7(9)12/h5H,3H2,1-2H3.
What are the key properties of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile?
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile has a molecular weight of 167.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetonitrile is sourced from PubChem (CID 84765176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).