5H-4,1-benzoxazocine

C10H9NO — CID 154194592

IUPAC5H-4,1-benzoxazocine
SMILESC1=COCC=c2cccc/c2=N/1
InChIInChI=1S/C10H9NO/c1-2-4-10-9(3-1)5-7-12-8-6-11-10/h1-6,8H,7H2/b8-6?,9-5?,11-10-
InChIKeyGXYSRNXXFKQKFM-QPKBMPMHSA-N
MW159.19 g/mol
LogP0.59
Rot. Bonds

About 5H-4,1-benzoxazocine

5H-4,1-benzoxazocine (PubChem CID 154194592) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5H-4,1-benzoxazocine.

Molecular Properties

Compound Name5H-4,1-benzoxazocine
PubChem CID154194592
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5H-4,1-benzoxazocine
SMILESC1=COCC=c2cccc/c2=N/1
InChIInChI=1S/C10H9NO/c1-2-4-10-9(3-1)5-7-12-8-6-11-10/h1-6,8H,7H2/b8-6?,9-5?,11-10-
InChIKeyGXYSRNXXFKQKFM-QPKBMPMHSA-N
XLogP0.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-4,1-benzoxazocine?
The IUPAC name of 5H-4,1-benzoxazocine (CID 154194592) is 5H-4,1-benzoxazocine.
What is the SMILES notation for 5H-4,1-benzoxazocine?
The canonical SMILES for 5H-4,1-benzoxazocine is C1=COCC=c2cccc/c2=N/1.
What is the InChIKey of 5H-4,1-benzoxazocine?
The InChIKey is GXYSRNXXFKQKFM-QPKBMPMHSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-10-9(3-1)5-7-12-8-6-11-10/h1-6,8H,7H2/b8-6?,9-5?,11-10-.
What are the key properties of 5H-4,1-benzoxazocine?
5H-4,1-benzoxazocine has a molecular weight of 159.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-4,1-benzoxazocine is sourced from PubChem (CID 154194592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).