8-aminoundec-2-yn-6-one

C11H19NO — CID 116608034

IUPAC8-aminoundec-2-yn-6-one
SMILESCC#CCCC(=O)CC(N)CCC
InChIInChI=1S/C11H19NO/c1-3-5-6-8-11(13)9-10(12)7-4-2/h10H,4,6-9,12H2,1-2H3
InChIKeyLDVNZYBNEYENMZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.88
Rot. Bonds6

About 8-aminoundec-2-yn-6-one

8-aminoundec-2-yn-6-one (PubChem CID 116608034) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-aminoundec-2-yn-6-one.

Molecular Properties

Compound Name8-aminoundec-2-yn-6-one
PubChem CID116608034
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-aminoundec-2-yn-6-one
SMILESCC#CCCC(=O)CC(N)CCC
InChIInChI=1S/C11H19NO/c1-3-5-6-8-11(13)9-10(12)7-4-2/h10H,4,6-9,12H2,1-2H3
InChIKeyLDVNZYBNEYENMZ-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-aminononan-4-one
CID 116607782
5-aminooctan-3-one
CID 116607745
4-aminotridecan-6-one
CID 116607784
2-aminodec-8-yn-5-one
CID 116571844
1-amino-1-cyclopropyloct-6-yn-3-one
CID 116608937
4-amino-1-methoxyheptan-2-one
CID 116607814
4-aminotridec-12-en-6-one
CID 107010989
1-propoxyhept-5-yn-2-one
CID 104803128
3-aminohexanoyl chloride;hydrochloride
CID 174572302
2-amino-3-methylnon-7-yn-4-one
CID 116612422
1-hydroxynon-7-yn-4-one
CID 106677619
(2R)-2-aminohept-5-ynamide
CID 55284059

Frequently Asked Questions

What is the IUPAC name of 8-aminoundec-2-yn-6-one?
The IUPAC name of 8-aminoundec-2-yn-6-one (CID 116608034) is 8-aminoundec-2-yn-6-one.
What is the SMILES notation for 8-aminoundec-2-yn-6-one?
The canonical SMILES for 8-aminoundec-2-yn-6-one is CC#CCCC(=O)CC(N)CCC.
What is the InChIKey of 8-aminoundec-2-yn-6-one?
The InChIKey is LDVNZYBNEYENMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-8-11(13)9-10(12)7-4-2/h10H,4,6-9,12H2,1-2H3.
What are the key properties of 8-aminoundec-2-yn-6-one?
8-aminoundec-2-yn-6-one has a molecular weight of 181.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoundec-2-yn-6-one is sourced from PubChem (CID 116608034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).