8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine

C12H13NO — CID 14668688

IUPAC8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine
SMILESc1ccc2c(c1)ON=C1CCCCC12
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h2,4,6,8-9H,1,3,5,7H2
InChIKeyGQAAAQDWPYKUAN-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.09
Rot. Bonds

About 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine

8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine (PubChem CID 14668688) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine.

Molecular Properties

Compound Name8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine
PubChem CID14668688
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine
SMILESc1ccc2c(c1)ON=C1CCCCC12
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h2,4,6,8-9H,1,3,5,7H2
InChIKeyGQAAAQDWPYKUAN-UHFFFAOYSA-N
XLogP3.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine?
The IUPAC name of 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine (CID 14668688) is 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine.
What is the SMILES notation for 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine?
The canonical SMILES for 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine is c1ccc2c(c1)ON=C1CCCCC12.
What is the InChIKey of 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine?
The InChIKey is GQAAAQDWPYKUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h2,4,6,8-9H,1,3,5,7H2.
What are the key properties of 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine?
8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine has a molecular weight of 187.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,10a-tetrahydro-7H-benzo[c][1,2]benzoxazine is sourced from PubChem (CID 14668688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).