1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile

C9H12N4O2 — CID 57254741

IUPAC1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile
SMILESCC(C(=O)N1CC1C#N)N1CCNC1=O
InChIInChI=1S/C9H12N4O2/c1-6(12-3-2-11-9(12)15)8(14)13-5-7(13)4-10/h6-7H,2-3,5H2,1H3,(H,11,15)
InChIKeyPWEARECLPSKMCU-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.87
Rot. Bonds2

About 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile

1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile (PubChem CID 57254741) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile
PubChem CID57254741
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile
SMILESCC(C(=O)N1CC1C#N)N1CCNC1=O
InChIInChI=1S/C9H12N4O2/c1-6(12-3-2-11-9(12)15)8(14)13-5-7(13)4-10/h6-7H,2-3,5H2,1H3,(H,11,15)
InChIKeyPWEARECLPSKMCU-UHFFFAOYSA-N
XLogP-0.87
TPSA76.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide
CID 71877664
1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-propan-2-ylurea
CID 16040987
2,2,4-Trimethyl-5-oxo-1-imidazolidineacetamide
CID 20155476
1-(2-Aminopropanoyl)-2,2-dimethyl-4-imidazolidinone
CID 20163710
1-(2-Aminoacetyl)-2,2,5-trimethyl-4-imidazolidinone
CID 20163748
N-(2-acetamidoacetyl)-2-cyanoaziridine-1-carboxamide
CID 21161942
[2-(2-Cyanoaziridin-1-yl)-2-oxoethyl]urea
CID 23461470
N-[1-(2-cyanoaziridin-1-yl)-1-oxopropan-2-yl]acetamide
CID 23461514
2-acetamido-N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]acetamide
CID 23461529
N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide
CID 23461530
3-[2-(2-Cyanoaziridin-1-yl)-2-oxoethyl]-1,1-dimethylurea
CID 23461539
2-cyano-N-[2-(dimethylamino)acetyl]aziridine-1-carboxamide
CID 54469369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile?
The IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile (CID 57254741) is 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile.
What is the SMILES notation for 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile?
The canonical SMILES for 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile is CC(C(=O)N1CC1C#N)N1CCNC1=O.
What is the InChIKey of 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile?
The InChIKey is PWEARECLPSKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6(12-3-2-11-9(12)15)8(14)13-5-7(13)4-10/h6-7H,2-3,5H2,1H3,(H,11,15).
What are the key properties of 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile?
1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile is sourced from PubChem (CID 57254741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).