(1Z,5Z)-6aH-3-benzazocin-4-one

C11H9NO — CID 70543314

IUPAC(1Z,5Z)-6aH-3-benzazocin-4-one
SMILESO=C1/C=C\C2C=CC=C/C2=C/C=N\1
InChIInChI=1S/C11H9NO/c13-11-6-5-9-3-1-2-4-10(9)7-8-12-11/h1-9H/b6-5-,10-7-,12-8-
InChIKeyYQMGJINRPQXDCN-LKOSMXPASA-N
MW171.20 g/mol
LogP1.82
Rot. Bonds

About (1Z,5Z)-6aH-3-benzazocin-4-one

(1Z,5Z)-6aH-3-benzazocin-4-one (PubChem CID 70543314) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is (1Z,5Z)-6aH-3-benzazocin-4-one.

Molecular Properties

Compound Name(1Z,5Z)-6aH-3-benzazocin-4-one
PubChem CID70543314
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name(1Z,5Z)-6aH-3-benzazocin-4-one
SMILESO=C1/C=C\C2C=CC=C/C2=C/C=N\1
InChIInChI=1S/C11H9NO/c13-11-6-5-9-3-1-2-4-10(9)7-8-12-11/h1-9H/b6-5-,10-7-,12-8-
InChIKeyYQMGJINRPQXDCN-LKOSMXPASA-N
XLogP1.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-6aH-3-benzazocin-4-one?
The IUPAC name of (1Z,5Z)-6aH-3-benzazocin-4-one (CID 70543314) is (1Z,5Z)-6aH-3-benzazocin-4-one.
What is the SMILES notation for (1Z,5Z)-6aH-3-benzazocin-4-one?
The canonical SMILES for (1Z,5Z)-6aH-3-benzazocin-4-one is O=C1/C=C\C2C=CC=C/C2=C/C=N\1.
What is the InChIKey of (1Z,5Z)-6aH-3-benzazocin-4-one?
The InChIKey is YQMGJINRPQXDCN-LKOSMXPASA-N. The full InChI is InChI=1S/C11H9NO/c13-11-6-5-9-3-1-2-4-10(9)7-8-12-11/h1-9H/b6-5-,10-7-,12-8-.
What are the key properties of (1Z,5Z)-6aH-3-benzazocin-4-one?
(1Z,5Z)-6aH-3-benzazocin-4-one has a molecular weight of 171.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-6aH-3-benzazocin-4-one is sourced from PubChem (CID 70543314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).