1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one

C19H24N2O4 — CID 97240246

IUPAC1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C19H24N2O4/c22-16(17-8-6-12-25-17)13-15-7-2-1-4-11-21(15)19(24)14-20-10-5-3-9-18(20)23/h3,5-6,8-10,12,15-16,22H,1-2,4,7,11,13-14H2/t15-,16+/m1/s1
InChIKeyHFZTZOYPMIOCLM-CVEARBPZSA-N
MW344.41 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 97240246) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID97240246
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C19H24N2O4/c22-16(17-8-6-12-25-17)13-15-7-2-1-4-11-21(15)19(24)14-20-10-5-3-9-18(20)23/h3,5-6,8-10,12,15-16,22H,1-2,4,7,11,13-14H2/t15-,16+/m1/s1
InChIKeyHFZTZOYPMIOCLM-CVEARBPZSA-N
XLogP2.34
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252
1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 95298452
1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 75387548
(5-chlorofuran-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240265
(5-chlorofuran-2-yl)-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 75387563
[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 75387551
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 97240205
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 99618548
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240194
2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 97224650

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one (CID 97240246) is 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1.
What is the InChIKey of 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is HFZTZOYPMIOCLM-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-16(17-8-6-12-25-17)13-15-7-2-1-4-11-21(15)19(24)14-20-10-5-3-9-18(20)23/h3,5-6,8-10,12,15-16,22H,1-2,4,7,11,13-14H2/t15-,16+/m1/s1.
What are the key properties of 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 344.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 97240246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).