(5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one

C15H25NO — CID 172965097

IUPAC(5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one
SMILESO=C1/C=C\CCCNC1C1CCCCCCC1
InChIInChI=1S/C15H25NO/c17-14-11-7-4-8-12-16-15(14)13-9-5-2-1-3-6-10-13/h7,11,13,15-16H,1-6,8-10,12H2/b11-7-
InChIKeyIRXNYRXDBHYHGO-XFFZJAGNSA-N
MW235.37 g/mol
LogP3.22
Rot. Bonds1

About (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one

(5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one (PubChem CID 172965097) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one.

Molecular Properties

Compound Name(5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one
PubChem CID172965097
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one
SMILESO=C1/C=C\CCCNC1C1CCCCCCC1
InChIInChI=1S/C15H25NO/c17-14-11-7-4-8-12-16-15(14)13-9-5-2-1-3-6-10-13/h7,11,13,15-16H,1-6,8-10,12H2/b11-7-
InChIKeyIRXNYRXDBHYHGO-XFFZJAGNSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,4S,5R,6R)-2,5,6-trimethyl-4-(methylamino)dec-8-en-3-one
CID 60126578
1-(8-Cyclooct-2-en-1-yl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one
CID 67843559
1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone
CID 67852304
1-[(6E)-8-[(2Z)-cyclooct-2-en-1-yl]-1,2,3,4,5,8-hexahydroazocin-6-yl]propan-1-one
CID 88458001
1-[(7E)-9-[(2E)-cyclonon-2-en-1-yl]-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl]ethanone
CID 88463442
4-[3-Methyl-1-(methylamino)butyl]cyclohex-2-en-1-one
CID 123400699
5-Ethyl-1-pyrrolidin-2-yldec-1-en-3-one
CID 123649688
(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one
CID 123687819
1-[(6E)-8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl]propan-1-one
CID 140372837
1,2,3,4,4a,8,9,9a-Octahydrocyclohepta[b]pyridin-7-one
CID 141782613
1-Cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one
CID 146568719
1-(8-Cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one
CID 154424873

Frequently Asked Questions

What is the IUPAC name of (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one?
The IUPAC name of (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one (CID 172965097) is (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one.
What is the SMILES notation for (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one?
The canonical SMILES for (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one is O=C1/C=C\CCCNC1C1CCCCCCC1.
What is the InChIKey of (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one?
The InChIKey is IRXNYRXDBHYHGO-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H25NO/c17-14-11-7-4-8-12-16-15(14)13-9-5-2-1-3-6-10-13/h7,11,13,15-16H,1-6,8-10,12H2/b11-7-.
What are the key properties of (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one?
(5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one has a molecular weight of 235.37 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8-cyclooctyl-2,3,4,8-tetrahydro-1H-azocin-7-one is sourced from PubChem (CID 172965097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).