(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one

C10H15NO — CID 126707093

IUPAC(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one
SMILESCCC/C1=C/C=N\C(=O)CCC1
InChIInChI=1S/C10H15NO/c1-2-4-9-5-3-6-10(12)11-8-7-9/h7-8H,2-6H2,1H3/b9-7-,11-8-
InChIKeyCQFNPHOENDMQKO-JLUCNAMBSA-N
MW165.24 g/mol
LogP2.49
Rot. Bonds2

About (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one

(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one (PubChem CID 126707093) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one.

Molecular Properties

Compound Name(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one
PubChem CID126707093
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one
SMILESCCC/C1=C/C=N\C(=O)CCC1
InChIInChI=1S/C10H15NO/c1-2-4-9-5-3-6-10(12)11-8-7-9/h7-8H,2-6H2,1H3/b9-7-,11-8-
InChIKeyCQFNPHOENDMQKO-JLUCNAMBSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one?
The IUPAC name of (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one (CID 126707093) is (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one.
What is the SMILES notation for (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one?
The canonical SMILES for (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one is CCC/C1=C/C=N\C(=O)CCC1.
What is the InChIKey of (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one?
The InChIKey is CQFNPHOENDMQKO-JLUCNAMBSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-9-5-3-6-10(12)11-8-7-9/h7-8H,2-6H2,1H3/b9-7-,11-8-.
What are the key properties of (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one?
(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one is sourced from PubChem (CID 126707093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).