1-ethyl-2,3,4,5-tetrahydroazocin-8-one

C9H15NO — CID 71393782

IUPAC1-ethyl-2,3,4,5-tetrahydroazocin-8-one
SMILESCCN1CCCCC=CC1=O
InChIInChI=1S/C9H15NO/c1-2-10-8-6-4-3-5-7-9(10)11/h5,7H,2-4,6,8H2,1H3
InChIKeyCMNIWYOHSNKYQY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About 1-ethyl-2,3,4,5-tetrahydroazocin-8-one

1-ethyl-2,3,4,5-tetrahydroazocin-8-one (PubChem CID 71393782) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5-tetrahydroazocin-8-one.

Molecular Properties

Compound Name1-ethyl-2,3,4,5-tetrahydroazocin-8-one
PubChem CID71393782
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-ethyl-2,3,4,5-tetrahydroazocin-8-one
SMILESCCN1CCCCC=CC1=O
InChIInChI=1S/C9H15NO/c1-2-10-8-6-4-3-5-7-9(10)11/h5,7H,2-4,6,8H2,1H3
InChIKeyCMNIWYOHSNKYQY-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5-tetrahydroazocin-8-one?
The IUPAC name of 1-ethyl-2,3,4,5-tetrahydroazocin-8-one (CID 71393782) is 1-ethyl-2,3,4,5-tetrahydroazocin-8-one.
What is the SMILES notation for 1-ethyl-2,3,4,5-tetrahydroazocin-8-one?
The canonical SMILES for 1-ethyl-2,3,4,5-tetrahydroazocin-8-one is CCN1CCCCC=CC1=O.
What is the InChIKey of 1-ethyl-2,3,4,5-tetrahydroazocin-8-one?
The InChIKey is CMNIWYOHSNKYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-8-6-4-3-5-7-9(10)11/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 1-ethyl-2,3,4,5-tetrahydroazocin-8-one?
1-ethyl-2,3,4,5-tetrahydroazocin-8-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5-tetrahydroazocin-8-one is sourced from PubChem (CID 71393782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).