2H-[1,3]oxazepino[7,6-b]indole

C11H8N2O — CID 171383570

IUPAC2H-[1,3]oxazepino[7,6-b]indole
SMILESC1=NCOC2=Nc3ccccc3C2=C1
InChIInChI=1S/C11H8N2O/c1-2-4-10-8(3-1)9-5-6-12-7-14-11(9)13-10/h1-6H,7H2
InChIKeyONDAGZHWLQAWFJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.17
Rot. Bonds

About 2H-[1,3]oxazepino[7,6-b]indole

2H-[1,3]oxazepino[7,6-b]indole (PubChem CID 171383570) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2H-[1,3]oxazepino[7,6-b]indole.

Molecular Properties

Compound Name2H-[1,3]oxazepino[7,6-b]indole
PubChem CID171383570
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2H-[1,3]oxazepino[7,6-b]indole
SMILESC1=NCOC2=Nc3ccccc3C2=C1
InChIInChI=1S/C11H8N2O/c1-2-4-10-8(3-1)9-5-6-12-7-14-11(9)13-10/h1-6H,7H2
InChIKeyONDAGZHWLQAWFJ-UHFFFAOYSA-N
XLogP2.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-[1,3]oxazepino[7,6-b]indole?
The IUPAC name of 2H-[1,3]oxazepino[7,6-b]indole (CID 171383570) is 2H-[1,3]oxazepino[7,6-b]indole.
What is the SMILES notation for 2H-[1,3]oxazepino[7,6-b]indole?
The canonical SMILES for 2H-[1,3]oxazepino[7,6-b]indole is C1=NCOC2=Nc3ccccc3C2=C1.
What is the InChIKey of 2H-[1,3]oxazepino[7,6-b]indole?
The InChIKey is ONDAGZHWLQAWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-4-10-8(3-1)9-5-6-12-7-14-11(9)13-10/h1-6H,7H2.
What are the key properties of 2H-[1,3]oxazepino[7,6-b]indole?
2H-[1,3]oxazepino[7,6-b]indole has a molecular weight of 184.20 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1,3]oxazepino[7,6-b]indole is sourced from PubChem (CID 171383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).