1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole

C14H12N2O — CID 135393629

IUPAC1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole
SMILESc1ccc2c(c1)[nH]c1c3c(ccc12)OCNC3
InChIInChI=1S/C14H12N2O/c1-2-4-12-9(3-1)10-5-6-13-11(14(10)16-12)7-15-8-17-13/h1-6,15-16H,7-8H2
InChIKeyIMPQMYYWTHUOGJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.76
Rot. Bonds

About 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole

1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole (PubChem CID 135393629) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole.

Molecular Properties

Compound Name1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole
PubChem CID135393629
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole
SMILESc1ccc2c(c1)[nH]c1c3c(ccc12)OCNC3
InChIInChI=1S/C14H12N2O/c1-2-4-12-9(3-1)10-5-6-13-11(14(10)16-12)7-15-8-17-13/h1-6,15-16H,7-8H2
InChIKeyIMPQMYYWTHUOGJ-UHFFFAOYSA-N
XLogP2.76
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole?
The IUPAC name of 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole (CID 135393629) is 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole.
What is the SMILES notation for 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole?
The canonical SMILES for 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole is c1ccc2c(c1)[nH]c1c3c(ccc12)OCNC3.
What is the InChIKey of 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole?
The InChIKey is IMPQMYYWTHUOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-4-12-9(3-1)10-5-6-13-11(14(10)16-12)7-15-8-17-13/h1-6,15-16H,7-8H2.
What are the key properties of 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole?
1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole has a molecular weight of 224.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,11-tetrahydro-[1,3]oxazino[5,6-a]carbazole is sourced from PubChem (CID 135393629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).