9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione

C13H11NO4 — CID 5298868

IUPAC9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
SMILESCOc1ccc2oc3c(c2c1)NC(=O)CCC3=O
InChIInChI=1S/C13H11NO4/c1-17-7-2-4-10-8(6-7)12-13(18-10)9(15)3-5-11(16)14-12/h2,4,6H,3,5H2,1H3,(H,14,16)
InChIKeyHRODCKWXVMHFST-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.36
Rot. Bonds1

About 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione

9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione (PubChem CID 5298868) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione.

Molecular Properties

Compound Name9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
PubChem CID5298868
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
SMILESCOc1ccc2oc3c(c2c1)NC(=O)CCC3=O
InChIInChI=1S/C13H11NO4/c1-17-7-2-4-10-8(6-7)12-13(18-10)9(15)3-5-11(16)14-12/h2,4,6H,3,5H2,1H3,(H,14,16)
InChIKeyHRODCKWXVMHFST-UHFFFAOYSA-N
XLogP2.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-2-phenyl-2,3-dihydro-1H-[1]benzofuro[3,2-b]pyridin-4-one
CID 86722224
16-methoxy-6,6-dimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-10-one
CID 143270641
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
CID 67965470
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate
CID 163117362
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253
1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,4-diazepan-5-one
CID 56821206
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
The IUPAC name of 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione (CID 5298868) is 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione.
What is the SMILES notation for 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
The canonical SMILES for 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione is COc1ccc2oc3c(c2c1)NC(=O)CCC3=O.
What is the InChIKey of 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
The InChIKey is HRODCKWXVMHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-7-2-4-10-8(6-7)12-13(18-10)9(15)3-5-11(16)14-12/h2,4,6H,3,5H2,1H3,(H,14,16).
What are the key properties of 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione has a molecular weight of 245.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione is sourced from PubChem (CID 5298868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).