4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one

C17H22O — CID 114473546

IUPAC4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22O/c1-14(2)10-11-16(18)17(12-6-7-13-17)15-8-4-3-5-9-15/h3-5,8-9H,1,6-7,10-13H2,2H3
InChIKeyPZCOYCXEMKNTRM-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.42
Rot. Bonds5

About 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one

4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one (PubChem CID 114473546) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
PubChem CID114473546
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22O/c1-14(2)10-11-16(18)17(12-6-7-13-17)15-8-4-3-5-9-15/h3-5,8-9H,1,6-7,10-13H2,2H3
InChIKeyPZCOYCXEMKNTRM-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
1-(1-phenylcyclobutyl)pent-3-yn-1-one
CID 63078433
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
CID 69250269
ethyl 4-oxo-4-(1-phenylcyclopropyl)butanoate
CID 66323170
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
CID 91605385

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one?
The IUPAC name of 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one (CID 114473546) is 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one is C=C(C)CCC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one?
The InChIKey is PZCOYCXEMKNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-14(2)10-11-16(18)17(12-6-7-13-17)15-8-4-3-5-9-15/h3-5,8-9H,1,6-7,10-13H2,2H3.
What are the key properties of 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one?
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one is sourced from PubChem (CID 114473546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).