(5Z)-3H-4,1-benzoxazocine

C10H9NO — CID 88841509

IUPAC(5Z)-3H-4,1-benzoxazocine
SMILESC1=C\c2ccccc2/N=C\CO/1
InChIInChI=1S/C10H9NO/c1-2-4-10-9(3-1)5-7-12-8-6-11-10/h1-7H,8H2/b7-5-,11-6-
InChIKeyHHDZPYDYAHWNKQ-JMPJYAQRSA-N
MW159.19 g/mol
LogP2.39
Rot. Bonds

About (5Z)-3H-4,1-benzoxazocine

(5Z)-3H-4,1-benzoxazocine (PubChem CID 88841509) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (5Z)-3H-4,1-benzoxazocine.

Molecular Properties

Compound Name(5Z)-3H-4,1-benzoxazocine
PubChem CID88841509
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(5Z)-3H-4,1-benzoxazocine
SMILESC1=C\c2ccccc2/N=C\CO/1
InChIInChI=1S/C10H9NO/c1-2-4-10-9(3-1)5-7-12-8-6-11-10/h1-7H,8H2/b7-5-,11-6-
InChIKeyHHDZPYDYAHWNKQ-JMPJYAQRSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3H-4,1-benzoxazocine?
The IUPAC name of (5Z)-3H-4,1-benzoxazocine (CID 88841509) is (5Z)-3H-4,1-benzoxazocine.
What is the SMILES notation for (5Z)-3H-4,1-benzoxazocine?
The canonical SMILES for (5Z)-3H-4,1-benzoxazocine is C1=C\c2ccccc2/N=C\CO/1.
What is the InChIKey of (5Z)-3H-4,1-benzoxazocine?
The InChIKey is HHDZPYDYAHWNKQ-JMPJYAQRSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-10-9(3-1)5-7-12-8-6-11-10/h1-7H,8H2/b7-5-,11-6-.
What are the key properties of (5Z)-3H-4,1-benzoxazocine?
(5Z)-3H-4,1-benzoxazocine has a molecular weight of 159.19 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3H-4,1-benzoxazocine is sourced from PubChem (CID 88841509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).