5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one

C15H17N3O3 — CID 97210433

IUPAC5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCCC[C@H]1c1ccco1
InChIInChI=1S/C15H17N3O3/c19-14-10-16-11(9-17-14)15(20)18-7-3-1-2-5-12(18)13-6-4-8-21-13/h4,6,8-10,12H,1-3,5,7H2,(H,17,19)/t12-/m0/s1
InChIKeyDQZABBHPUPJRHZ-LBPRGKRZSA-N
MW287.32 g/mol
LogP2.12
Rot. Bonds2

About 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one

5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 97210433) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
PubChem CID97210433
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCCC[C@H]1c1ccco1
InChIInChI=1S/C15H17N3O3/c19-14-10-16-11(9-17-14)15(20)18-7-3-1-2-5-12(18)13-6-4-8-21-13/h4,6,8-10,12H,1-3,5,7H2,(H,17,19)/t12-/m0/s1
InChIKeyDQZABBHPUPJRHZ-LBPRGKRZSA-N
XLogP2.12
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
[2-(furan-2-yl)azepan-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74231471
[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 95725001
[2-(furan-2-yl)azepan-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 70768765
[(2S)-2-(furan-2-yl)azepan-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
CID 97317503
[(2R)-2-(furan-2-yl)azepan-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 125165574
1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97079135
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one (CID 97210433) is 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCCC[C@H]1c1ccco1.
What is the InChIKey of 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is DQZABBHPUPJRHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14-10-16-11(9-17-14)15(20)18-7-3-1-2-5-12(18)13-6-4-8-21-13/h4,6,8-10,12H,1-3,5,7H2,(H,17,19)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one?
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 287.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 97210433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).