nona-3,4-dien-2-one

C9H14O — CID 11815428

IUPACnona-3,4-dien-2-one
SMILESCCCCC=C=CC(C)=O
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h6,8H,3-5H2,1-2H3
InChIKeyNLCNACWBDXXDHO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.48
Rot. Bonds4

About nona-3,4-dien-2-one

nona-3,4-dien-2-one (PubChem CID 11815428) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is nona-3,4-dien-2-one.

Molecular Properties

Compound Namenona-3,4-dien-2-one
PubChem CID11815428
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenona-3,4-dien-2-one
SMILESCCCCC=C=CC(C)=O
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h6,8H,3-5H2,1-2H3
InChIKeyNLCNACWBDXXDHO-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.48
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 nona-3,4-dien-2-one?
The IUPAC name of nona-3,4-dien-2-one (CID 11815428) is nona-3,4-dien-2-one.
What is the SMILES notation for nona-3,4-dien-2-one?
The canonical SMILES for nona-3,4-dien-2-one is CCCCC=C=CC(C)=O.
What is the InChIKey of nona-3,4-dien-2-one?
The InChIKey is NLCNACWBDXXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h6,8H,3-5H2,1-2H3.
What are the key properties of nona-3,4-dien-2-one?
nona-3,4-dien-2-one has a molecular weight of 138.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-3,4-dien-2-one is sourced from PubChem (CID 11815428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).