2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine

C11H13NO2 — CID 96624717

IUPAC2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine
SMILESc1c2c(cc3c1NCCCO3)COC2
InChIInChI=1S/C11H13NO2/c1-2-12-10-4-8-6-13-7-9(8)5-11(10)14-3-1/h4-5,12H,1-3,6-7H2
InChIKeySKNQCKOLFLDFLY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.91
Rot. Bonds

About 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine

2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine (PubChem CID 96624717) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine.

Molecular Properties

Compound Name2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine
PubChem CID96624717
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine
SMILESc1c2c(cc3c1NCCCO3)COC2
InChIInChI=1S/C11H13NO2/c1-2-12-10-4-8-6-13-7-9(8)5-11(10)14-3-1/h4-5,12H,1-3,6-7H2
InChIKeySKNQCKOLFLDFLY-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
CID 84618320
CID 89013099
CID 89013099
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine
CID 117246836
2,3,4,5,6,7-hexahydro-1H-8,1,4-benzoxadiazecin-10-amine
CID 142373636
3,4-dihydro-2H-benzo[g][1,4]benzoxazine
CID 83789533
6,7-ditert-butyl-3,4-dihydro-2H-1,4-benzoxazine
CID 162423996
11-fluoro-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 96605871
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine
CID 176695160
4,7,13,16-tetraoxatricyclo[9.5.0.03,9]hexadeca-1(11),2,9-triene
CID 176853354

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine?
The IUPAC name of 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine (CID 96624717) is 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine.
What is the SMILES notation for 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine?
The canonical SMILES for 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine is c1c2c(cc3c1NCCCO3)COC2.
What is the InChIKey of 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine?
The InChIKey is SKNQCKOLFLDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-10-4-8-6-13-7-9(8)5-11(10)14-3-1/h4-5,12H,1-3,6-7H2.
What are the key properties of 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine?
2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine has a molecular weight of 191.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine is sourced from PubChem (CID 96624717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).