hepta-5,6-dien-2-one

C7H10O — CID 12504788

IUPAChepta-5,6-dien-2-one
SMILESC=C=CCCC(C)=O
InChIInChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h4H,1,5-6H2,2H3
InChIKeyHDLLMNOIFRGFIG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.70
Rot. Bonds3

About hepta-5,6-dien-2-one

hepta-5,6-dien-2-one (PubChem CID 12504788) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is hepta-5,6-dien-2-one.

Molecular Properties

Compound Namehepta-5,6-dien-2-one
PubChem CID12504788
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namehepta-5,6-dien-2-one
SMILESC=C=CCCC(C)=O
InChIInChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h4H,1,5-6H2,2H3
InChIKeyHDLLMNOIFRGFIG-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze hepta-5,6-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hexene-2-one
CID 7989
1-Hexen-3-one
CID 15395
4-Penten-2-one, 4-methyl-
CID 19543
4-Penten-2-one
CID 83797
5-Hexen-3-one
CID 141082
6-Hepten-3-one
CID 137641
Hexa-4,5-dien-3-one
CID 637952
1,2-Heptadien-4-one
CID 20547173
6-Hepten-2-one
CID 10975443
3,4-Nonadien-2-one
CID 11815428
Vinylmethyl ketone
CID 11423569
Hept-1-en-4-one
CID 12402004

Frequently Asked Questions

What is the IUPAC name of hepta-5,6-dien-2-one?
The IUPAC name of hepta-5,6-dien-2-one (CID 12504788) is hepta-5,6-dien-2-one.
What is the SMILES notation for hepta-5,6-dien-2-one?
The canonical SMILES for hepta-5,6-dien-2-one is C=C=CCCC(C)=O.
What is the InChIKey of hepta-5,6-dien-2-one?
The InChIKey is HDLLMNOIFRGFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h4H,1,5-6H2,2H3.
What are the key properties of hepta-5,6-dien-2-one?
hepta-5,6-dien-2-one has a molecular weight of 110.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-5,6-dien-2-one is sourced from PubChem (CID 12504788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).