1-azacyclotridec-3-en-2-one

C12H21NO — CID 69255360

IUPAC1-azacyclotridec-3-en-2-one
SMILESO=C1C=CCCCCCCCCCN1
InChIInChI=1S/C12H21NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h8,10H,1-7,9,11H2,(H,13,14)
InChIKeyXLTQIHRRJGUXIJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.79
Rot. Bonds

About 1-azacyclotridec-3-en-2-one

1-azacyclotridec-3-en-2-one (PubChem CID 69255360) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-azacyclotridec-3-en-2-one.

Molecular Properties

Compound Name1-azacyclotridec-3-en-2-one
PubChem CID69255360
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-azacyclotridec-3-en-2-one
SMILESO=C1C=CCCCCCCCCCN1
InChIInChI=1S/C12H21NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h8,10H,1-7,9,11H2,(H,13,14)
InChIKeyXLTQIHRRJGUXIJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azacyclotridec-3-en-2-one?
The IUPAC name of 1-azacyclotridec-3-en-2-one (CID 69255360) is 1-azacyclotridec-3-en-2-one.
What is the SMILES notation for 1-azacyclotridec-3-en-2-one?
The canonical SMILES for 1-azacyclotridec-3-en-2-one is O=C1C=CCCCCCCCCCN1.
What is the InChIKey of 1-azacyclotridec-3-en-2-one?
The InChIKey is XLTQIHRRJGUXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h8,10H,1-7,9,11H2,(H,13,14).
What are the key properties of 1-azacyclotridec-3-en-2-one?
1-azacyclotridec-3-en-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclotridec-3-en-2-one is sourced from PubChem (CID 69255360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).