1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one

C22H32ClNO — CID 19823694

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one
SMILESC=CCCCCCCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H32ClNO/c1-4-5-6-7-8-9-11-20(25)21(24(2)3)22(16-10-17-22)18-12-14-19(23)15-13-18/h4,12-15,21H,1,5-11,16-17H2,2-3H3
InChIKeyBXYITQTUKLRMDX-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.79
Rot. Bonds11

About 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one

1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one (PubChem CID 19823694) has the molecular formula C22H32ClNO and a molecular weight of 361.96 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one
PubChem CID19823694
Molecular FormulaC22H32ClNO
Molecular Weight361.96 g/mol
Exact Mass361.22
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one
SMILESC=CCCCCCCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H32ClNO/c1-4-5-6-7-8-9-11-20(25)21(24(2)3)22(16-10-17-22)18-12-14-19(23)15-13-18/h4,12-15,21H,1,5-11,16-17H2,2-3H3
InChIKeyBXYITQTUKLRMDX-UHFFFAOYSA-N
XLogP5.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorodimethylcathinone
CID 43794736
3-(4-Chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one
CID 3275442
2-(4-Chlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 12612274
4-chloro-alpha-PHP
CID 137331671
4-(4-Chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one
CID 10246034
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one
CID 6374882
4-Propionyl-4-(4-chlorophenyl)-1-(3-dimethylaminopropyl)piperidine
CID 170611
(5E)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one
CID 5919698
1-(Dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one
CID 19823869
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
CID 56621938
2-(4-Chlorophenyl)-1-(3-fluoro-3-methylazetidin-1-yl)-4-methylpentan-3-one
CID 58458189
2-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4,4-dimethylpentan-3-one
CID 58458257

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one (CID 19823694) is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one is C=CCCCCCCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one?
The InChIKey is BXYITQTUKLRMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClNO/c1-4-5-6-7-8-9-11-20(25)21(24(2)3)22(16-10-17-22)18-12-14-19(23)15-13-18/h4,12-15,21H,1,5-11,16-17H2,2-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one?
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one has a molecular weight of 361.96 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one is sourced from PubChem (CID 19823694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).