(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C26H26N2O — CID 15496859

IUPAC(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CC[C@@H]2[C@H](c3ccccc3)N(Cc3ccccc3)C[C@@H](c3ccccc3)N12
InChIInChI=1S/C26H26N2O/c29-25-17-16-23-26(22-14-8-3-9-15-22)27(18-20-10-4-1-5-11-20)19-24(28(23)25)21-12-6-2-7-13-21/h1-15,23-24,26H,16-19H2/t23-,24+,26+/m1/s1
InChIKeyQFPOOERTAGBRSK-USZFVNFHSA-N
MW382.51 g/mol
LogP4.98
Rot. Bonds4

About (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 15496859) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID15496859
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CC[C@@H]2[C@H](c3ccccc3)N(Cc3ccccc3)C[C@@H](c3ccccc3)N12
InChIInChI=1S/C26H26N2O/c29-25-17-16-23-26(22-14-8-3-9-15-22)27(18-20-10-4-1-5-11-20)19-24(28(23)25)21-12-6-2-7-13-21/h1-15,23-24,26H,16-19H2/t23-,24+,26+/m1/s1
InChIKeyQFPOOERTAGBRSK-USZFVNFHSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,7aR)-1-benzyl-4-methyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460695
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one
CID 134942203
(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129497308
(3aS,7aS)-1-benzyl-4-(cyclopropylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460772
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
(6S,7R,11R)-10-benzyl-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-trien-3-one
CID 10980080
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
CID 83823768
1-benzyl-2-(4-nitrophenyl)aziridine
CID 11368817
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044

Frequently Asked Questions

What is the IUPAC name of (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 15496859) is (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CC[C@@H]2[C@H](c3ccccc3)N(Cc3ccccc3)C[C@@H](c3ccccc3)N12.
What is the InChIKey of (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QFPOOERTAGBRSK-USZFVNFHSA-N. The full InChI is InChI=1S/C26H26N2O/c29-25-17-16-23-26(22-14-8-3-9-15-22)27(18-20-10-4-1-5-11-20)19-24(28(23)25)21-12-6-2-7-13-21/h1-15,23-24,26H,16-19H2/t23-,24+,26+/m1/s1.
What are the key properties of (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 382.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 15496859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).