1-cyclopentyl-5-phenylpent-1-en-3-one;hydron

C16H21O+ — CID 174426915

IUPAC1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
SMILESO=C(C=CC1CCCC1)CCc1ccccc1.[H+]
InChIInChI=1S/C16H20O/c17-16(13-11-15-8-4-5-9-15)12-10-14-6-2-1-3-7-14/h1-3,6-7,11,13,15H,4-5,8-10,12H2/p+1
InChIKeyUBBSUQDKSYGEML-UHFFFAOYSA-O
MW229.34 g/mol
LogP4.05
Rot. Bonds5

About 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron

1-cyclopentyl-5-phenylpent-1-en-3-one;hydron (PubChem CID 174426915) has the molecular formula C16H21O+ and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron.

Molecular Properties

Compound Name1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
PubChem CID174426915
Molecular FormulaC16H21O+
Molecular Weight229.34 g/mol
Exact Mass229.16
IUPAC Name1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
SMILESO=C(C=CC1CCCC1)CCc1ccccc1.[H+]
InChIInChI=1S/C16H20O/c17-16(13-11-15-8-4-5-9-15)12-10-14-6-2-1-3-7-14/h1-3,6-7,11,13,15H,4-5,8-10,12H2/p+1
InChIKeyUBBSUQDKSYGEML-UHFFFAOYSA-O
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 54.05
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-phenylpropyl (E)-3-cyclopentylprop-2-enoate
CID 10634969
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
(E)-1,7-diphenylhept-4-en-3-one;ethane
CID 91159824
(4Z)-6-(hydroxymethyl)-1-phenylhepta-4,6-dien-3-one
CID 123406687
(E)-1-phenyloct-4-en-3-one
CID 12588926
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
3-cyclohexyl-2-methylprop-2-enoic acid;2-methylidene-4-phenylbutanoic acid
CID 70354628
(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
CID 20724342
1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
CID 108911687
1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
CID 82023420
1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
CID 2750650

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron?
The IUPAC name of 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron (CID 174426915) is 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron.
What is the SMILES notation for 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron?
The canonical SMILES for 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron is O=C(C=CC1CCCC1)CCc1ccccc1.[H+].
What is the InChIKey of 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron?
The InChIKey is UBBSUQDKSYGEML-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20O/c17-16(13-11-15-8-4-5-9-15)12-10-14-6-2-1-3-7-14/h1-3,6-7,11,13,15H,4-5,8-10,12H2/p+1.
What are the key properties of 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron?
1-cyclopentyl-5-phenylpent-1-en-3-one;hydron has a molecular weight of 229.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-phenylpent-1-en-3-one;hydron is sourced from PubChem (CID 174426915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).