(3E)-nona-3,5-dien-2-one

C9H14O — CID 131243861

IUPAC(3E)-nona-3,5-dien-2-one
SMILESCCCC=C/C=C/C(C)=O
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h5-8H,3-4H2,1-2H3/b6-5?,8-7+
InChIKeyJETNPTUJXPNCAS-GCSGCOTJSA-N
MW138.21 g/mol
LogP2.49
Rot. Bonds4

About (3E)-nona-3,5-dien-2-one

(3E)-nona-3,5-dien-2-one (PubChem CID 131243861) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E)-nona-3,5-dien-2-one.

Molecular Properties

Compound Name(3E)-nona-3,5-dien-2-one
PubChem CID131243861
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3E)-nona-3,5-dien-2-one
SMILESCCCC=C/C=C/C(C)=O
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h5-8H,3-4H2,1-2H3/b6-5?,8-7+
InChIKeyJETNPTUJXPNCAS-GCSGCOTJSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
pentadeca-3,5,7-trien-2-one
CID 91106763
[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate
CID 51357065
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
3-methylnona-3,5-dien-2-one
CID 173004598
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
methyl deca-2,4,6-trienoate
CID 57131946
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
nona-3,5-diene-2,7-dione
CID 74986099

Frequently Asked Questions

What is the IUPAC name of (3E)-nona-3,5-dien-2-one?
The IUPAC name of (3E)-nona-3,5-dien-2-one (CID 131243861) is (3E)-nona-3,5-dien-2-one.
What is the SMILES notation for (3E)-nona-3,5-dien-2-one?
The canonical SMILES for (3E)-nona-3,5-dien-2-one is CCCC=C/C=C/C(C)=O.
What is the InChIKey of (3E)-nona-3,5-dien-2-one?
The InChIKey is JETNPTUJXPNCAS-GCSGCOTJSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h5-8H,3-4H2,1-2H3/b6-5?,8-7+.
What are the key properties of (3E)-nona-3,5-dien-2-one?
(3E)-nona-3,5-dien-2-one has a molecular weight of 138.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-nona-3,5-dien-2-one is sourced from PubChem (CID 131243861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).