4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one

C8H9NO2 — CID 82417389

IUPAC4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one
SMILESO=C1CNCCc2ccoc21
InChIInChI=1S/C8H9NO2/c10-7-5-9-3-1-6-2-4-11-8(6)7/h2,4,9H,1,3,5H2
InChIKeyTYCKSVTUMIEXGW-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.61
Rot. Bonds

About 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one

4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one (PubChem CID 82417389) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one.

Molecular Properties

Compound Name4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one
PubChem CID82417389
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one
SMILESO=C1CNCCc2ccoc21
InChIInChI=1S/C8H9NO2/c10-7-5-9-3-1-6-2-4-11-8(6)7/h2,4,9H,1,3,5H2
InChIKeyTYCKSVTUMIEXGW-UHFFFAOYSA-N
XLogP0.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]azepin-8-one
CID 82417488
6,7-dihydro-5H-furo[2,3-c]pyridin-4-one
CID 13365221
6,7,8,9-tetrahydrofuro[2,3-f]isoquinoline
CID 84654648
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
7-ethyl-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165469952
spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]
CID 165478271
pyrrolidine-3,4-dione
CID 13027232
5,6-dihydrofuro[2,3-b]pyrrol-4-one
CID 96637935
5,6,7,8-tetrahydro-2H-2,6-naphthyridin-3-one
CID 105429463
7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165477662
6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]
CID 112715806

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one?
The IUPAC name of 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one (CID 82417389) is 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one.
What is the SMILES notation for 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one?
The canonical SMILES for 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one is O=C1CNCCc2ccoc21.
What is the InChIKey of 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one?
The InChIKey is TYCKSVTUMIEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-5-9-3-1-6-2-4-11-8(6)7/h2,4,9H,1,3,5H2.
What are the key properties of 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one?
4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one has a molecular weight of 151.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one is sourced from PubChem (CID 82417389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).