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

C7H10F2N2O — CID 86337059

IUPAC(7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESO=C1CC[C@@]2(C(F)F)NCCN12
InChIInChI=1S/C7H10F2N2O/c8-6(9)7-2-1-5(12)11(7)4-3-10-7/h6,10H,1-4H2/t7-/m1/s1
InChIKeyDAVWTVYMPKLACQ-SSDOTTSWSA-N
MW176.17 g/mol
LogP0.17
Rot. Bonds1

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

(7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (PubChem CID 86337059) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name(7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
PubChem CID86337059
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESO=C1CC[C@@]2(C(F)F)NCCN12
InChIInChI=1S/C7H10F2N2O/c8-6(9)7-2-1-5(12)11(7)4-3-10-7/h6,10H,1-4H2/t7-/m1/s1
InChIKeyDAVWTVYMPKLACQ-SSDOTTSWSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (CID 86337059) is (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is O=C1CC[C@@]2(C(F)F)NCCN12.
What is the InChIKey of (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The InChIKey is DAVWTVYMPKLACQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-6(9)7-2-1-5(12)11(7)4-3-10-7/h6,10H,1-4H2/t7-/m1/s1.
What are the key properties of (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
(7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one has a molecular weight of 176.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 86337059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).