2,3-dihydro-1H-benzo[f][1,4]benzoxazine

C12H11NO — CID 69233304

IUPAC2,3-dihydro-1H-benzo[f][1,4]benzoxazine
SMILESc1ccc2c3c(ccc2c1)OCCN3
InChIInChI=1S/C12H11NO/c1-2-4-10-9(3-1)5-6-11-12(10)13-7-8-14-11/h1-6,13H,7-8H2
InChIKeySHUAXTBBRHWJRO-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.64
Rot. Bonds

About 2,3-dihydro-1H-benzo[f][1,4]benzoxazine

2,3-dihydro-1H-benzo[f][1,4]benzoxazine (PubChem CID 69233304) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzo[f][1,4]benzoxazine.

Molecular Properties

Compound Name2,3-dihydro-1H-benzo[f][1,4]benzoxazine
PubChem CID69233304
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2,3-dihydro-1H-benzo[f][1,4]benzoxazine
SMILESc1ccc2c3c(ccc2c1)OCCN3
InChIInChI=1S/C12H11NO/c1-2-4-10-9(3-1)5-6-11-12(10)13-7-8-14-11/h1-6,13H,7-8H2
InChIKeySHUAXTBBRHWJRO-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzo[f][1,4]benzoxazine?
The IUPAC name of 2,3-dihydro-1H-benzo[f][1,4]benzoxazine (CID 69233304) is 2,3-dihydro-1H-benzo[f][1,4]benzoxazine.
What is the SMILES notation for 2,3-dihydro-1H-benzo[f][1,4]benzoxazine?
The canonical SMILES for 2,3-dihydro-1H-benzo[f][1,4]benzoxazine is c1ccc2c3c(ccc2c1)OCCN3.
What is the InChIKey of 2,3-dihydro-1H-benzo[f][1,4]benzoxazine?
The InChIKey is SHUAXTBBRHWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-4-10-9(3-1)5-6-11-12(10)13-7-8-14-11/h1-6,13H,7-8H2.
What are the key properties of 2,3-dihydro-1H-benzo[f][1,4]benzoxazine?
2,3-dihydro-1H-benzo[f][1,4]benzoxazine has a molecular weight of 185.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzo[f][1,4]benzoxazine is sourced from PubChem (CID 69233304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).