(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C18H15N3O4 — CID 94045543

IUPAC(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C18H15N3O4/c22-18(15-8-9-16(25-15)21(23)24)20-12-11-19-10-4-7-14(19)17(20)13-5-2-1-3-6-13/h1-10,17H,11-12H2/t17-/m1/s1
InChIKeyFBURENPQDAIBQW-QGZVFWFLSA-N
MW337.34 g/mol
LogP3.23
Rot. Bonds3

About (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 94045543) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID94045543
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C18H15N3O4/c22-18(15-8-9-16(25-15)21(23)24)20-12-11-19-10-4-7-14(19)17(20)13-5-2-1-3-6-13/h1-10,17H,11-12H2/t17-/m1/s1
InChIKeyFBURENPQDAIBQW-QGZVFWFLSA-N
XLogP3.23
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(1S)-2-[2-(4-nitrophenyl)ethyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 52680632
3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridin-2-one
CID 94813645
[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 97081794
(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 71931138
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126437773
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55558055
N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 94045543) is (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCn2cccc2[C@H]1c1ccccc1.
What is the InChIKey of (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is FBURENPQDAIBQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-18(15-8-9-16(25-15)21(23)24)20-12-11-19-10-4-7-14(19)17(20)13-5-2-1-3-6-13/h1-10,17H,11-12H2/t17-/m1/s1.
What are the key properties of (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 337.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 94045543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).