(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C16H15FN2O2 — CID 11878355

IUPAC(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1[C@H]2CCCN2[C@@H](c2ccco2)N1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2/c17-11-5-7-12(8-6-11)19-15(14-4-2-10-21-14)18-9-1-3-13(18)16(19)20/h2,4-8,10,13,15H,1,3,9H2/t13-,15-/m1/s1
InChIKeyWOPSRLWVSHTIIW-UKRRQHHQSA-N
MW286.31 g/mol
LogP2.93
Rot. Bonds2

About (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 11878355) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID11878355
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1[C@H]2CCCN2[C@@H](c2ccco2)N1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2/c17-11-5-7-12(8-6-11)19-15(14-4-2-10-21-14)18-9-1-3-13(18)16(19)20/h2,4-8,10,13,15H,1,3,9H2/t13-,15-/m1/s1
InChIKeyWOPSRLWVSHTIIW-UKRRQHHQSA-N
XLogP2.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,7aS)-3-(3-fluorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686332
(3R,7aS)-3-(3-chlorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686334
(3R,7aS)-3-(2-ethoxyphenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686335
(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686322
2-(4-fluorophenyl)-3-(furan-2-yl)-3,4,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-4-ium-1-one
CID 3279580
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one
CID 124503350
(2R)-3-(4-fluorophenyl)-2-(furan-2-yl)-1,2-dihydroquinazolin-4-one
CID 7027322
(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
CID 167572151
3-(4-fluorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4647029
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
7-fluoro-3-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 56714046

Frequently Asked Questions

What is the IUPAC name of (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 11878355) is (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1[C@H]2CCCN2[C@@H](c2ccco2)N1c1ccc(F)cc1.
What is the InChIKey of (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is WOPSRLWVSHTIIW-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-11-5-7-12(8-6-11)19-15(14-4-2-10-21-14)18-9-1-3-13(18)16(19)20/h2,4-8,10,13,15H,1,3,9H2/t13-,15-/m1/s1.
What are the key properties of (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 286.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 11878355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).