2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C10H16N2O2 — CID 12767213

IUPAC2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCCCCN1C(=O)C2CCCN2C1=O
InChIInChI=1S/C10H16N2O2/c1-2-3-6-12-9(13)8-5-4-7-11(8)10(12)14/h8H,2-7H2,1H3
InChIKeyIDQNSOQKYVXSPZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.21
Rot. Bonds3

About 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 12767213) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID12767213
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCCCCN1C(=O)C2CCCN2C1=O
InChIInChI=1S/C10H16N2O2/c1-2-3-6-12-9(13)8-5-4-7-11(8)10(12)14/h8H,2-7H2,1H3
InChIKeyIDQNSOQKYVXSPZ-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 12767213) is 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is CCCCN1C(=O)C2CCCN2C1=O.
What is the InChIKey of 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is IDQNSOQKYVXSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-6-12-9(13)8-5-4-7-11(8)10(12)14/h8H,2-7H2,1H3.
What are the key properties of 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 196.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 12767213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).