4H-5,1-benzoxazocine

C10H9NO — CID 70587061

IUPAC4H-5,1-benzoxazocine
SMILESC1=C/N=c2/ccccc2=COC1
InChIInChI=1S/C10H9NO/c1-2-5-10-9(4-1)8-12-7-3-6-11-10/h1-6,8H,7H2/b6-3?,9-8?,11-10-
InChIKeyCPDQJHAAPFDSBO-HDKFRDGXSA-N
MW159.19 g/mol
LogP0.59
Rot. Bonds

About 4H-5,1-benzoxazocine

4H-5,1-benzoxazocine (PubChem CID 70587061) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4H-5,1-benzoxazocine.

Molecular Properties

Compound Name4H-5,1-benzoxazocine
PubChem CID70587061
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4H-5,1-benzoxazocine
SMILESC1=C/N=c2/ccccc2=COC1
InChIInChI=1S/C10H9NO/c1-2-5-10-9(4-1)8-12-7-3-6-11-10/h1-6,8H,7H2/b6-3?,9-8?,11-10-
InChIKeyCPDQJHAAPFDSBO-HDKFRDGXSA-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 4H-5,1-benzoxazocine?
The IUPAC name of 4H-5,1-benzoxazocine (CID 70587061) is 4H-5,1-benzoxazocine.
What is the SMILES notation for 4H-5,1-benzoxazocine?
The canonical SMILES for 4H-5,1-benzoxazocine is C1=C/N=c2/ccccc2=COC1.
What is the InChIKey of 4H-5,1-benzoxazocine?
The InChIKey is CPDQJHAAPFDSBO-HDKFRDGXSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-5-10-9(4-1)8-12-7-3-6-11-10/h1-6,8H,7H2/b6-3?,9-8?,11-10-.
What are the key properties of 4H-5,1-benzoxazocine?
4H-5,1-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 4H-5,1-benzoxazocine is sourced from PubChem (CID 70587061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).