(Z)-1-phenylpent-2-en-1-one

C11H12O — CID 91998885

IUPAC(Z)-1-phenylpent-2-en-1-one
SMILESCC/C=C\C(=O)c1ccccc1
InChIInChI=1S/C11H12O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3-
InChIKeySLIYPUFGOLKLKM-OQFOIZHKSA-N
MW160.22 g/mol
LogP2.84
Rot. Bonds3

About (Z)-1-phenylpent-2-en-1-one

(Z)-1-phenylpent-2-en-1-one (PubChem CID 91998885) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (Z)-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-phenylpent-2-en-1-one
PubChem CID91998885
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(Z)-1-phenylpent-2-en-1-one
SMILESCC/C=C\C(=O)c1ccccc1
InChIInChI=1S/C11H12O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3-
InChIKeySLIYPUFGOLKLKM-OQFOIZHKSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749
(E)-1-(4-fluorophenyl)pent-2-en-1-one
CID 19551234
(E)-4-(diethylamino)-1-phenylbut-2-en-1-one;hydrobromide
CID 15942801
1-(4-ethenylphenyl)pent-2-en-1-one
CID 173330480
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
ethane;fluoromethane;(Z)-3-methylidene-1-phenylhept-4-ene-1,2-dione
CID 145449953
6,6-diethoxy-1-phenylhex-2-en-1-one
CID 154199193
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
(E)-1-(2-fluorophenyl)pent-2-en-1-one
CID 103942635
(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
CID 121009504

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenylpent-2-en-1-one?
The IUPAC name of (Z)-1-phenylpent-2-en-1-one (CID 91998885) is (Z)-1-phenylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-phenylpent-2-en-1-one?
The canonical SMILES for (Z)-1-phenylpent-2-en-1-one is CC/C=C\C(=O)c1ccccc1.
What is the InChIKey of (Z)-1-phenylpent-2-en-1-one?
The InChIKey is SLIYPUFGOLKLKM-OQFOIZHKSA-N. The full InChI is InChI=1S/C11H12O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3-.
What are the key properties of (Z)-1-phenylpent-2-en-1-one?
(Z)-1-phenylpent-2-en-1-one has a molecular weight of 160.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenylpent-2-en-1-one is sourced from PubChem (CID 91998885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).