(5Z)-hepta-1,5-dien-3-one

C7H10O — CID 13310111

IUPAC(5Z)-hepta-1,5-dien-3-one
SMILESC=CC(=O)C/C=C\C
InChIInChI=1S/C7H10O/c1-3-5-6-7(8)4-2/h3-5H,2,6H2,1H3/b5-3-
InChIKeyNKXFVAPTUXWTDT-HYXAFXHYSA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds3

About (5Z)-hepta-1,5-dien-3-one

(5Z)-hepta-1,5-dien-3-one (PubChem CID 13310111) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (5Z)-hepta-1,5-dien-3-one.

Molecular Properties

Compound Name(5Z)-hepta-1,5-dien-3-one
PubChem CID13310111
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(5Z)-hepta-1,5-dien-3-one
SMILESC=CC(=O)C/C=C\C
InChIInChI=1S/C7H10O/c1-3-5-6-7(8)4-2/h3-5H,2,6H2,1H3/b5-3-
InChIKeyNKXFVAPTUXWTDT-HYXAFXHYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;(E)-pent-3-enoic acid
CID 140509123
(E)-pent-3-enoyl chloride
CID 6442180
chloro pent-3-enoate
CID 174877154
(8E,10E)-dodeca-1,8,10-trien-3-one
CID 11769109
2-ethylidenehex-4-enoic acid
CID 154267649
(4E)-2-methylhexa-1,4-diene
CID 5367524
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
2-methylidenehex-4-enyl 2-methylprop-2-enoate
CID 57198938
acetic acid;hexa-1,4-diene
CID 174398643
but-2-en-1-ol;methyl prop-2-enoate
CID 174878800
tritriacont-1-en-3-one
CID 153436316
(E)-non-2-en-5-one
CID 15142787

Frequently Asked Questions

What is the IUPAC name of (5Z)-hepta-1,5-dien-3-one?
The IUPAC name of (5Z)-hepta-1,5-dien-3-one (CID 13310111) is (5Z)-hepta-1,5-dien-3-one.
What is the SMILES notation for (5Z)-hepta-1,5-dien-3-one?
The canonical SMILES for (5Z)-hepta-1,5-dien-3-one is C=CC(=O)C/C=C\C.
What is the InChIKey of (5Z)-hepta-1,5-dien-3-one?
The InChIKey is NKXFVAPTUXWTDT-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-5-6-7(8)4-2/h3-5H,2,6H2,1H3/b5-3-.
What are the key properties of (5Z)-hepta-1,5-dien-3-one?
(5Z)-hepta-1,5-dien-3-one has a molecular weight of 110.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-hepta-1,5-dien-3-one is sourced from PubChem (CID 13310111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).