7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one

C12H11NO3 — CID 755673

IUPAC7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
SMILESO=C1NCCCc2c1oc1ccc(O)cc21
InChIInChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
InChIKeyAACFPJSJOWQNBN-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.81
Rot. Bonds

About 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one

7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one (PubChem CID 755673) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one.

Molecular Properties

Compound Name7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
PubChem CID755673
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
SMILESO=C1NCCCc2c1oc1ccc(O)cc21
InChIInChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
InChIKeyAACFPJSJOWQNBN-UHFFFAOYSA-N
XLogP1.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166631314
5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 2474196
N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2492577
5-methoxy-3-methyl-N-(3-methylbutyl)-2-benzofurancarboxamide
CID 2561213
N-cyclopentyl-3-methyl-1-benzofuran-2-carboxamide
CID 9078207
5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18160210
N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 9079958
3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 886450
5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 2408176
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide
CID 3238928
1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide
CID 6623272

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one?
The IUPAC name of 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one (CID 755673) is 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one.
What is the SMILES notation for 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one?
The canonical SMILES for 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one is O=C1NCCCc2c1oc1ccc(O)cc21.
What is the InChIKey of 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one?
The InChIKey is AACFPJSJOWQNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15).
What are the key properties of 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one?
7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one has a molecular weight of 217.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one is sourced from PubChem (CID 755673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).