1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one

C14H24N2O — CID 71337222

IUPAC1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one
SMILESO=C1CCCCCN1/C1=N/CCCCCCC1
InChIInChI=1S/C14H24N2O/c17-14-10-6-4-8-12-16(14)13-9-5-2-1-3-7-11-15-13/h1-12H2/b15-13+
InChIKeyKACFRPZORVRJND-FYWRMAATSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds

About 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one

1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one (PubChem CID 71337222) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one.

Molecular Properties

Compound Name1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one
PubChem CID71337222
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one
SMILESO=C1CCCCCN1/C1=N/CCCCCCC1
InChIInChI=1S/C14H24N2O/c17-14-10-6-4-8-12-16(14)13-9-5-2-1-3-7-11-15-13/h1-12H2/b15-13+
InChIKeyKACFRPZORVRJND-FYWRMAATSA-N
XLogP3.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one?
The IUPAC name of 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one (CID 71337222) is 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one.
What is the SMILES notation for 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one?
The canonical SMILES for 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one is O=C1CCCCCN1/C1=N/CCCCCCC1.
What is the InChIKey of 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one?
The InChIKey is KACFRPZORVRJND-FYWRMAATSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14-10-6-4-8-12-16(14)13-9-5-2-1-3-7-11-15-13/h1-12H2/b15-13+.
What are the key properties of 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one?
1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)azepan-2-one is sourced from PubChem (CID 71337222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).