non-3-en-2-one

C9H16O — CID 26630

IUPACnon-3-en-2-one
SMILESCCCCCC=CC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3
InChIKeyHDKLIZDXVUCLHQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds5

About non-3-en-2-one

non-3-en-2-one (PubChem CID 26630) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-3-en-2-one.

Molecular Properties

Compound Namenon-3-en-2-one
PubChem CID26630
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-3-en-2-one
SMILESCCCCCC=CC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3
InChIKeyHDKLIZDXVUCLHQ-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of non-3-en-2-one?
The IUPAC name of non-3-en-2-one (CID 26630) is non-3-en-2-one.
What is the SMILES notation for non-3-en-2-one?
The canonical SMILES for non-3-en-2-one is CCCCCC=CC(C)=O.
What is the InChIKey of non-3-en-2-one?
The InChIKey is HDKLIZDXVUCLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3.
What are the key properties of non-3-en-2-one?
non-3-en-2-one has a molecular weight of 140.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-3-en-2-one is sourced from PubChem (CID 26630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).