1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone

C19H31NO — CID 67852304

IUPAC1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone
SMILESCC(=O)C1=CCCCCCNC1C1C=CCCCCCC1
InChIInChI=1S/C19H31NO/c1-16(21)18-14-10-6-7-11-15-20-19(18)17-12-8-4-2-3-5-9-13-17/h8,12,14,17,19-20H,2-7,9-11,13,15H2,1H3
InChIKeyOAFOCADQIMRNKU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.56
Rot. Bonds2

About 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone

1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone (PubChem CID 67852304) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone.

Molecular Properties

Compound Name1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone
PubChem CID67852304
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone
SMILESCC(=O)C1=CCCCCCNC1C1C=CCCCCCC1
InChIInChI=1S/C19H31NO/c1-16(21)18-14-10-6-7-11-15-20-19(18)17-12-8-4-2-3-5-9-13-17/h8,12,14,17,19-20H,2-7,9-11,13,15H2,1H3
InChIKeyOAFOCADQIMRNKU-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone?
The IUPAC name of 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone (CID 67852304) is 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone.
What is the SMILES notation for 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone?
The canonical SMILES for 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone is CC(=O)C1=CCCCCCNC1C1C=CCCCCCC1.
What is the InChIKey of 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone?
The InChIKey is OAFOCADQIMRNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(21)18-14-10-6-7-11-15-20-19(18)17-12-8-4-2-3-5-9-13-17/h8,12,14,17,19-20H,2-7,9-11,13,15H2,1H3.
What are the key properties of 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone?
1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone has a molecular weight of 289.46 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone is sourced from PubChem (CID 67852304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).