(E)-non-2-en-5-one

C9H16O — CID 15142787

IUPAC(E)-non-2-en-5-one
SMILESC/C=C/CC(=O)CCCC
InChIInChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyHNTDNRUDUVCSAN-HWKANZROSA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds5

About (E)-non-2-en-5-one

(E)-non-2-en-5-one (PubChem CID 15142787) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-non-2-en-5-one.

Molecular Properties

Compound Name(E)-non-2-en-5-one
PubChem CID15142787
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-non-2-en-5-one
SMILESC/C=C/CC(=O)CCCC
InChIInChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyHNTDNRUDUVCSAN-HWKANZROSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-oxodec-2-enoic acid
CID 85427475
heptan-3-one;non-2-ene
CID 175423097
dodeca-1,3-dien-6-one
CID 154455058
heptadec-2-en-7-one
CID 54227331
undec-2-en-6-one;hydrochloride
CID 175086863
3-oxononadecanal
CID 87605711
5-propan-2-ylidenenon-2-ene
CID 151139066
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
pentyl pent-3-enoate
CID 54134172
7-methyldec-8-en-5-one
CID 71382182

Frequently Asked Questions

What is the IUPAC name of (E)-non-2-en-5-one?
The IUPAC name of (E)-non-2-en-5-one (CID 15142787) is (E)-non-2-en-5-one.
What is the SMILES notation for (E)-non-2-en-5-one?
The canonical SMILES for (E)-non-2-en-5-one is C/C=C/CC(=O)CCCC.
What is the InChIKey of (E)-non-2-en-5-one?
The InChIKey is HNTDNRUDUVCSAN-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-non-2-en-5-one?
(E)-non-2-en-5-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 (E)-non-2-en-5-one is sourced from PubChem (CID 15142787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).