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

C9H14N2O2 — CID 43557987

IUPAC2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCC(C)N1C(=O)C2CCCN2C1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)11-8(12)7-4-3-5-10(7)9(11)13/h6-7H,3-5H2,1-2H3
InChIKeyKXNBENAMJVCADI-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds1

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

2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 43557987) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID43557987
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCC(C)N1C(=O)C2CCCN2C1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)11-8(12)7-4-3-5-10(7)9(11)13/h6-7H,3-5H2,1-2H3
InChIKeyKXNBENAMJVCADI-UHFFFAOYSA-N
XLogP0.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 43557987) is 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is CC(C)N1C(=O)C2CCCN2C1=O.
What is the InChIKey of 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is KXNBENAMJVCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)11-8(12)7-4-3-5-10(7)9(11)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 182.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 43557987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).