(1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C20H19N3O2 — CID 51939439

IUPAC(1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-23(25)18-10-5-4-9-17(18)15-22-14-13-21-12-6-11-19(21)20(22)16-7-2-1-3-8-16/h1-12,20H,13-15H2/t20-/m1/s1
InChIKeyHUQIJNFZLJYHSP-HXUWFJFHSA-N
MW333.39 g/mol
LogP4.00
Rot. Bonds4

About (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

(1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 51939439) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID51939439
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-23(25)18-10-5-4-9-17(18)15-22-14-13-21-12-6-11-19(21)20(22)16-7-2-1-3-8-16/h1-12,20H,13-15H2/t20-/m1/s1
InChIKeyHUQIJNFZLJYHSP-HXUWFJFHSA-N
XLogP4.00
TPSA51.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-[(2-nitrophenyl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46036928
2-[[(1S)-1-(4-nitrophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenol
CID 93231833
(1S)-2-[2-(4-nitrophenyl)ethyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 52680632
2-[(2-chlorophenyl)methyl]-1-(3-nitrophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 42845411
(1S)-2-[(2,3-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 93231827
(1S)-2-[(2,6-difluorophenyl)methyl]-1-(2-nitrophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 93323172
(2R)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 163320874
(2S)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910425
(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 94045543
2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 47069571
1-(4-chlorophenyl)-2-[(2-ethylphenyl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46032387
2-[(2,6-difluorophenyl)methyl]-1-(4-nitrophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46036774

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 51939439) is (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=[N+]([O-])c1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1.
What is the InChIKey of (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is HUQIJNFZLJYHSP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-23(25)18-10-5-4-9-17(18)15-22-14-13-21-12-6-11-19(21)20(22)16-7-2-1-3-8-16/h1-12,20H,13-15H2/t20-/m1/s1.
What are the key properties of (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
(1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 333.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 51939439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).