(3E)-1-methyl-1-azacyclotridec-3-en-2-one

C13H23NO — CID 166438543

IUPAC(3E)-1-methyl-1-azacyclotridec-3-en-2-one
SMILESCN1CCCCCCCCC/C=C/C1=O
InChIInChI=1S/C13H23NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h9,11H,2-8,10,12H2,1H3/b11-9+
InChIKeyHHNXBUIXWHJGOA-PKNBQFBNSA-N
MW209.33 g/mol
LogP3.14
Rot. Bonds

About (3E)-1-methyl-1-azacyclotridec-3-en-2-one

(3E)-1-methyl-1-azacyclotridec-3-en-2-one (PubChem CID 166438543) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3E)-1-methyl-1-azacyclotridec-3-en-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-1-azacyclotridec-3-en-2-one
PubChem CID166438543
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3E)-1-methyl-1-azacyclotridec-3-en-2-one
SMILESCN1CCCCCCCCC/C=C/C1=O
InChIInChI=1S/C13H23NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h9,11H,2-8,10,12H2,1H3/b11-9+
InChIKeyHHNXBUIXWHJGOA-PKNBQFBNSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-1-azacyclotridec-3-en-2-one?
The IUPAC name of (3E)-1-methyl-1-azacyclotridec-3-en-2-one (CID 166438543) is (3E)-1-methyl-1-azacyclotridec-3-en-2-one.
What is the SMILES notation for (3E)-1-methyl-1-azacyclotridec-3-en-2-one?
The canonical SMILES for (3E)-1-methyl-1-azacyclotridec-3-en-2-one is CN1CCCCCCCCC/C=C/C1=O.
What is the InChIKey of (3E)-1-methyl-1-azacyclotridec-3-en-2-one?
The InChIKey is HHNXBUIXWHJGOA-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h9,11H,2-8,10,12H2,1H3/b11-9+.
What are the key properties of (3E)-1-methyl-1-azacyclotridec-3-en-2-one?
(3E)-1-methyl-1-azacyclotridec-3-en-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-1-azacyclotridec-3-en-2-one is sourced from PubChem (CID 166438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).