2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide

C15H14N4O3 — CID 41103574

IUPAC2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2C1=O
InChIInChI=1S/C15H14N4O3/c16-8-10-4-1-2-5-11(10)17-13(20)9-19-14(21)12-6-3-7-18(12)15(19)22/h1-2,4-5,12H,3,6-7,9H2,(H,17,20)/t12-/m1/s1
InChIKeyMXARPUMKEBUEJF-GFCCVEGCSA-N
MW298.30 g/mol
LogP0.92
Rot. Bonds3

About 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide

2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide (PubChem CID 41103574) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide
PubChem CID41103574
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2C1=O
InChIInChI=1S/C15H14N4O3/c16-8-10-4-1-2-5-11(10)17-13(20)9-19-14(21)12-6-3-7-18(12)15(19)22/h1-2,4-5,12H,3,6-7,9H2,(H,17,20)/t12-/m1/s1
InChIKeyMXARPUMKEBUEJF-GFCCVEGCSA-N
XLogP0.92
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 24534131
2-[4-[4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]benzonitrile;hydrochloride
CID 52942946
N-(4-chloro-2-methylphenyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534157
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
methyl 4-[[2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetyl]amino]benzoate
CID 24534137
N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide
CID 40803757
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534092
N-(2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583832
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967

Frequently Asked Questions

What is the IUPAC name of 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide (CID 41103574) is 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2C1=O.
What is the InChIKey of 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide?
The InChIKey is MXARPUMKEBUEJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-8-10-4-1-2-5-11(10)17-13(20)9-19-14(21)12-6-3-7-18(12)15(19)22/h1-2,4-5,12H,3,6-7,9H2,(H,17,20)/t12-/m1/s1.
What are the key properties of 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide?
2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 41103574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).