(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one

C15H18O — CID 103454372

IUPAC(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H18O/c1-2-3-10-15(16)14-9-5-8-13(11-14)12-6-4-7-12/h3,5,8-12H,2,4,6-7H2,1H3/b10-3+
InChIKeyLGNLRVUMXXPZQL-XCVCLJGOSA-N
MW214.31 g/mol
LogP4.10
Rot. Bonds4

About (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one

(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one (PubChem CID 103454372) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
PubChem CID103454372
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H18O/c1-2-3-10-15(16)14-9-5-8-13(11-14)12-6-4-7-12/h3,5,8-12H,2,4,6-7H2,1H3/b10-3+
InChIKeyLGNLRVUMXXPZQL-XCVCLJGOSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.10
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

3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 114607529
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601959
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
methyl 3-cyclohexylbenzoate
CID 67160762
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
CID 114607534
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168158

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one?
The IUPAC name of (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one (CID 103454372) is (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one.
What is the SMILES notation for (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one?
The canonical SMILES for (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one is CC/C=C/C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one?
The InChIKey is LGNLRVUMXXPZQL-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-10-15(16)14-9-5-8-13(11-14)12-6-4-7-12/h3,5,8-12H,2,4,6-7H2,1H3/b10-3+.
What are the key properties of (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one?
(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one has a molecular weight of 214.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-cyclobutylphenyl)pent-2-en-1-one is sourced from PubChem (CID 103454372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).