1-aminonon-8-yn-4-one

C9H15NO — CID 116553278

IUPAC1-aminonon-8-yn-4-one
SMILESC#CCCCC(=O)CCCN
InChIInChI=1S/C9H15NO/c1-2-3-4-6-9(11)7-5-8-10/h1H,3-8,10H2
InChIKeyNIXDCIIFOSFIKO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.10
Rot. Bonds6

About 1-aminonon-8-yn-4-one

1-aminonon-8-yn-4-one (PubChem CID 116553278) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-aminonon-8-yn-4-one.

Molecular Properties

Compound Name1-aminonon-8-yn-4-one
PubChem CID116553278
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-aminonon-8-yn-4-one
SMILESC#CCCCC(=O)CCCN
InChIInChI=1S/C9H15NO/c1-2-3-4-6-9(11)7-5-8-10/h1H,3-8,10H2
InChIKeyNIXDCIIFOSFIKO-UHFFFAOYSA-N
XLogP1.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.10
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-aminodec-9-yn-5-one
CID 116571970
1-bromohept-6-yn-2-one
CID 46180062
1-bromooct-7-yn-2-one
CID 46180063
dec-1-en-9-yn-5-one
CID 14265374
1-(methylamino)oct-7-yn-3-one
CID 116561124
nonadec-18-yn-8-one
CID 142782006
1-(2-methoxyethoxy)oct-7-yn-3-one
CID 102927462
1-methylsulfonylhept-6-yn-2-one
CID 115798471
carbonic acid;hept-6-yn-1-amine;bis(2-methylpropane)
CID 174059622
1-[1-(aminomethyl)cyclohexyl]hept-6-yn-2-one
CID 116614364
ethyl carbamate;pent-4-yn-1-amine
CID 159215619
3-amino-2-methylnon-8-yn-4-one
CID 116548980

Frequently Asked Questions

What is the IUPAC name of 1-aminonon-8-yn-4-one?
The IUPAC name of 1-aminonon-8-yn-4-one (CID 116553278) is 1-aminonon-8-yn-4-one.
What is the SMILES notation for 1-aminonon-8-yn-4-one?
The canonical SMILES for 1-aminonon-8-yn-4-one is C#CCCCC(=O)CCCN.
What is the InChIKey of 1-aminonon-8-yn-4-one?
The InChIKey is NIXDCIIFOSFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-6-9(11)7-5-8-10/h1H,3-8,10H2.
What are the key properties of 1-aminonon-8-yn-4-one?
1-aminonon-8-yn-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminonon-8-yn-4-one is sourced from PubChem (CID 116553278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).