(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one

C14H14O — CID 21176370

IUPAC(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C14H14O/c15-14(13-10-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-9,13H,10-11H2/b8-4+,9-5+
InChIKeyDZTQWOPMARDGEA-KBXRYBNXSA-N
MW198.26 g/mol
LogP3.24
Rot. Bonds4

About (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one

(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one (PubChem CID 21176370) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
PubChem CID21176370
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C14H14O/c15-14(13-10-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-9,13H,10-11H2/b8-4+,9-5+
InChIKeyDZTQWOPMARDGEA-KBXRYBNXSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.24
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

1-(oxiran-2-yl)-7-phenylhepta-2,4,6-trien-1-one
CID 173138754
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
CID 19558961
1-(azepan-4-yl)-3-phenylprop-2-en-1-one
CID 4736933
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one (CID 21176370) is (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccccc1)C1CC1.
What is the InChIKey of (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
The InChIKey is DZTQWOPMARDGEA-KBXRYBNXSA-N. The full InChI is InChI=1S/C14H14O/c15-14(13-10-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-9,13H,10-11H2/b8-4+,9-5+.
What are the key properties of (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one has a molecular weight of 198.26 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 21176370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).