(2Z,4Z)-1,2-benzoxazocin-6-one

C10H7NO2 — CID 156598321

IUPAC(2Z,4Z)-1,2-benzoxazocin-6-one
SMILESO=C1/C=C\C=N/Oc2ccccc21
InChIInChI=1S/C10H7NO2/c12-9-5-3-7-11-13-10-6-2-1-4-8(9)10/h1-7H/b5-3-,11-7-
InChIKeyGFGVHCWDWPVZAX-SJEGFPFRSA-N
MW173.17 g/mol
LogP1.80
Rot. Bonds

About (2Z,4Z)-1,2-benzoxazocin-6-one

(2Z,4Z)-1,2-benzoxazocin-6-one (PubChem CID 156598321) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2Z,4Z)-1,2-benzoxazocin-6-one.

Molecular Properties

Compound Name(2Z,4Z)-1,2-benzoxazocin-6-one
PubChem CID156598321
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name(2Z,4Z)-1,2-benzoxazocin-6-one
SMILESO=C1/C=C\C=N/Oc2ccccc21
InChIInChI=1S/C10H7NO2/c12-9-5-3-7-11-13-10-6-2-1-4-8(9)10/h1-7H/b5-3-,11-7-
InChIKeyGFGVHCWDWPVZAX-SJEGFPFRSA-N
XLogP1.80
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,2-benzoxazocin-6-one?
The IUPAC name of (2Z,4Z)-1,2-benzoxazocin-6-one (CID 156598321) is (2Z,4Z)-1,2-benzoxazocin-6-one.
What is the SMILES notation for (2Z,4Z)-1,2-benzoxazocin-6-one?
The canonical SMILES for (2Z,4Z)-1,2-benzoxazocin-6-one is O=C1/C=C\C=N/Oc2ccccc21.
What is the InChIKey of (2Z,4Z)-1,2-benzoxazocin-6-one?
The InChIKey is GFGVHCWDWPVZAX-SJEGFPFRSA-N. The full InChI is InChI=1S/C10H7NO2/c12-9-5-3-7-11-13-10-6-2-1-4-8(9)10/h1-7H/b5-3-,11-7-.
What are the key properties of (2Z,4Z)-1,2-benzoxazocin-6-one?
(2Z,4Z)-1,2-benzoxazocin-6-one has a molecular weight of 173.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,2-benzoxazocin-6-one is sourced from PubChem (CID 156598321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).