1-azacyclohexadec-6-en-2-one

C15H27NO — CID 71076499

IUPAC1-azacyclohexadec-6-en-2-one
SMILESO=C1CCCC=CCCCCCCCCCN1
InChIInChI=1S/C15H27NO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-15/h5,7H,1-4,6,8-14H2,(H,16,17)
InChIKeyAFEIMTLAEDDXFZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.96
Rot. Bonds

About 1-azacyclohexadec-6-en-2-one

1-azacyclohexadec-6-en-2-one (PubChem CID 71076499) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-azacyclohexadec-6-en-2-one.

Molecular Properties

Compound Name1-azacyclohexadec-6-en-2-one
PubChem CID71076499
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-azacyclohexadec-6-en-2-one
SMILESO=C1CCCC=CCCCCCCCCCN1
InChIInChI=1S/C15H27NO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-15/h5,7H,1-4,6,8-14H2,(H,16,17)
InChIKeyAFEIMTLAEDDXFZ-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-azacyclohexadec-6-en-2-one?
The IUPAC name of 1-azacyclohexadec-6-en-2-one (CID 71076499) is 1-azacyclohexadec-6-en-2-one.
What is the SMILES notation for 1-azacyclohexadec-6-en-2-one?
The canonical SMILES for 1-azacyclohexadec-6-en-2-one is O=C1CCCC=CCCCCCCCCCN1.
What is the InChIKey of 1-azacyclohexadec-6-en-2-one?
The InChIKey is AFEIMTLAEDDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-15/h5,7H,1-4,6,8-14H2,(H,16,17).
What are the key properties of 1-azacyclohexadec-6-en-2-one?
1-azacyclohexadec-6-en-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclohexadec-6-en-2-one is sourced from PubChem (CID 71076499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).