(7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

C7H9F3N2O — CID 86337060

IUPAC(7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESO=C1CC[C@]2(C(F)(F)F)NCCN12
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6-2-1-5(13)12(6)4-3-11-6/h11H,1-4H2/t6-/m0/s1
InChIKeyIWFSPZOXANAATP-LURJTMIESA-N
MW194.16 g/mol
LogP0.47
Rot. Bonds

About (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

(7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (PubChem CID 86337060) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name(7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
PubChem CID86337060
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESO=C1CC[C@]2(C(F)(F)F)NCCN12
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6-2-1-5(13)12(6)4-3-11-6/h11H,1-4H2/t6-/m0/s1
InChIKeyIWFSPZOXANAATP-LURJTMIESA-N
XLogP0.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (CID 86337060) is (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is O=C1CC[C@]2(C(F)(F)F)NCCN12.
What is the InChIKey of (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The InChIKey is IWFSPZOXANAATP-LURJTMIESA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)6-2-1-5(13)12(6)4-3-11-6/h11H,1-4H2/t6-/m0/s1.
What are the key properties of (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
(7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one has a molecular weight of 194.16 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 86337060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).