1-aminodec-9-yn-5-one

C10H17NO — CID 116571970

IUPAC1-aminodec-9-yn-5-one
SMILESC#CCCCC(=O)CCCCN
InChIInChI=1S/C10H17NO/c1-2-3-4-7-10(12)8-5-6-9-11/h1H,3-9,11H2
InChIKeySFPSHLYMYJGHFU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.49
Rot. Bonds7

About 1-aminodec-9-yn-5-one

1-aminodec-9-yn-5-one (PubChem CID 116571970) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-aminodec-9-yn-5-one.

Molecular Properties

Compound Name1-aminodec-9-yn-5-one
PubChem CID116571970
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-aminodec-9-yn-5-one
SMILESC#CCCCC(=O)CCCCN
InChIInChI=1S/C10H17NO/c1-2-3-4-7-10(12)8-5-6-9-11/h1H,3-9,11H2
InChIKeySFPSHLYMYJGHFU-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-aminonon-8-yn-4-one
CID 116553278
1-bromohept-6-yn-2-one
CID 46180062
1-bromooct-7-yn-2-one
CID 46180063
nonadec-18-yn-8-one
CID 142782006
carbonic acid;hept-6-yn-1-amine;bis(2-methylpropane)
CID 174059622
dec-1-en-9-yn-5-one
CID 14265374
1-(methylamino)oct-7-yn-3-one
CID 116561124
tetradec-13-ynamide
CID 19767571
8-aminooctan-4-one
CID 25202394
12-amino-7-oxododecanoic acid
CID 4206597
7-amino-1-hydroxyheptan-2-one
CID 58492627
1-(2-methoxyethoxy)oct-7-yn-3-one
CID 102927462

Frequently Asked Questions

What is the IUPAC name of 1-aminodec-9-yn-5-one?
The IUPAC name of 1-aminodec-9-yn-5-one (CID 116571970) is 1-aminodec-9-yn-5-one.
What is the SMILES notation for 1-aminodec-9-yn-5-one?
The canonical SMILES for 1-aminodec-9-yn-5-one is C#CCCCC(=O)CCCCN.
What is the InChIKey of 1-aminodec-9-yn-5-one?
The InChIKey is SFPSHLYMYJGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-7-10(12)8-5-6-9-11/h1H,3-9,11H2.
What are the key properties of 1-aminodec-9-yn-5-one?
1-aminodec-9-yn-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminodec-9-yn-5-one is sourced from PubChem (CID 116571970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).