non-5-yn-2-one

C9H14O — CID 14901661

IUPACnon-5-yn-2-one
SMILESCCCC#CCCC(C)=O
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h3-4,7-8H2,1-2H3
InChIKeyKHGADPZWZGCLSA-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds3

About non-5-yn-2-one

non-5-yn-2-one (PubChem CID 14901661) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is non-5-yn-2-one.

Molecular Properties

Compound Namenon-5-yn-2-one
PubChem CID14901661
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenon-5-yn-2-one
SMILESCCCC#CCCC(C)=O
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h3-4,7-8H2,1-2H3
InChIKeyKHGADPZWZGCLSA-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

palladium;pentan-2-one
CID 174766041
14-oxopentadec-10-ynoic acid
CID 21432369
hexadeca-4,6,10,12-tetraynoic acid
CID 168864619
9-oxodec-4-ynoic acid
CID 12893740
8-methylnon-7-en-5-yn-2-one
CID 177439253
pentan-2-one;zinc
CID 88629307
tridec-9-ynoic acid
CID 5312723
hept-3-ynamide
CID 55289382
hexane-2,5-dione
CID 8035
CID 171375174
CID 171375174
CID 158726547
CID 158726547
tris(butan-2-one);tris(pentan-2-one)
CID 157203121

Frequently Asked Questions

What is the IUPAC name of non-5-yn-2-one?
The IUPAC name of non-5-yn-2-one (CID 14901661) is non-5-yn-2-one.
What is the SMILES notation for non-5-yn-2-one?
The canonical SMILES for non-5-yn-2-one is CCCC#CCCC(C)=O.
What is the InChIKey of non-5-yn-2-one?
The InChIKey is KHGADPZWZGCLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h3-4,7-8H2,1-2H3.
What are the key properties of non-5-yn-2-one?
non-5-yn-2-one has a molecular weight of 138.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-5-yn-2-one is sourced from PubChem (CID 14901661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).