azacyclotridecan-2-one

C12H23NO — CID 13690

IUPACazacyclotridecan-2-one
SMILESO=C1CCCCCCCCCCCN1
InChIInChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
InChIKeyJHWNWJKBPDFINM-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.02
Rot. Bonds

About azacyclotridecan-2-one

azacyclotridecan-2-one (PubChem CID 13690) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is azacyclotridecan-2-one.

Molecular Properties

Compound Nameazacyclotridecan-2-one
PubChem CID13690
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameazacyclotridecan-2-one
SMILESO=C1CCCCCCCCCCCN1
InChIInChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
InChIKeyJHWNWJKBPDFINM-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azacyclotridecan-2-one?
The IUPAC name of azacyclotridecan-2-one (CID 13690) is azacyclotridecan-2-one.
What is the SMILES notation for azacyclotridecan-2-one?
The canonical SMILES for azacyclotridecan-2-one is O=C1CCCCCCCCCCCN1.
What is the InChIKey of azacyclotridecan-2-one?
The InChIKey is JHWNWJKBPDFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14).
What are the key properties of azacyclotridecan-2-one?
azacyclotridecan-2-one has a molecular weight of 197.32 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azacyclotridecan-2-one is sourced from PubChem (CID 13690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).