2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C10H18N2O — CID 166050550

IUPAC2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESCC(C)(C)N1CC2CCCN2C1=O
InChIInChI=1S/C10H18N2O/c1-10(2,3)12-7-8-5-4-6-11(8)9(12)13/h8H,4-7H2,1-3H3
InChIKeyHLGOPDDZLXLTKJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds

About 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 166050550) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID166050550
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESCC(C)(C)N1CC2CCCN2C1=O
InChIInChI=1S/C10H18N2O/c1-10(2,3)12-7-8-5-4-6-11(8)9(12)13/h8H,4-7H2,1-3H3
InChIKeyHLGOPDDZLXLTKJ-UHFFFAOYSA-N
XLogP1.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 166050550) is 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is CC(C)(C)N1CC2CCCN2C1=O.
What is the InChIKey of 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is HLGOPDDZLXLTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)12-7-8-5-4-6-11(8)9(12)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 166050550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).