1H-[1,4]oxazino[4,3-a]indole

C11H9NO — CID 21389561

IUPAC1H-[1,4]oxazino[4,3-a]indole
SMILESC1=Cn2c(cc3ccccc32)CO1
InChIInChI=1S/C11H9NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11/h1-7H,8H2
InChIKeyOVDHMWFWLZIBIY-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.60
Rot. Bonds

About 1H-[1,4]oxazino[4,3-a]indole

1H-[1,4]oxazino[4,3-a]indole (PubChem CID 21389561) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name1H-[1,4]oxazino[4,3-a]indole
PubChem CID21389561
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1H-[1,4]oxazino[4,3-a]indole
SMILESC1=Cn2c(cc3ccccc32)CO1
InChIInChI=1S/C11H9NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11/h1-7H,8H2
InChIKeyOVDHMWFWLZIBIY-UHFFFAOYSA-N
XLogP2.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 1H-[1,4]oxazino[4,3-a]indole (CID 21389561) is 1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 1H-[1,4]oxazino[4,3-a]indole is C1=Cn2c(cc3ccccc32)CO1.
What is the InChIKey of 1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is OVDHMWFWLZIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11/h1-7H,8H2.
What are the key properties of 1H-[1,4]oxazino[4,3-a]indole?
1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 171.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 21389561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).