(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one

C21H26ClNO — CID 6374882

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one
SMILESCN(C)CCC1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H26ClNO/c1-23(2)14-13-21(18-5-3-4-6-18)12-11-17(20(21)24)15-16-7-9-19(22)10-8-16/h5,7-10,15H,3-4,6,11-14H2,1-2H3/b17-15-
InChIKeyYPDVRXQZIAHANI-ICFOKQHNSA-N
MW343.90 g/mol
LogP5.13
Rot. Bonds5

About (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one

(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one (PubChem CID 6374882) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one
PubChem CID6374882
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one
SMILESCN(C)CCC1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H26ClNO/c1-23(2)14-13-21(18-5-3-4-6-18)12-11-17(20(21)24)15-16-7-9-19(22)10-8-16/h5,7-10,15H,3-4,6,11-14H2,1-2H3/b17-15-
InChIKeyYPDVRXQZIAHANI-ICFOKQHNSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
CID 20835284
1-(4-Chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one;hydrochloride
CID 16655604
Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-
CID 17926
1-Propanone, 1-(4-chlorophenyl)-3-(diethylamino)-, hydrochloride
CID 373670
(E)-1-(4-chlorophenyl)-5-(diethylamino)-4,4-dimethyl-pent-1-en-3-one
CID 6474477
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride
CID 45281163
1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one
CID 200371
3-Dimethylamino-2-(4-chlorobenzoyl)propene
CID 456564
1-(4-Chlorophenyl)-4,4-dimethyl-5-diethylamino-1-penten-3-one
CID 6439082
1-(4-Chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one
CID 13343850
(E)-3-(4-chlorophenyl)-4'-[3-(dimethylamino)propyl]acrylophenone
CID 19883681

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one (CID 6374882) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one is CN(C)CCC1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one?
The InChIKey is YPDVRXQZIAHANI-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-23(2)14-13-21(18-5-3-4-6-18)12-11-17(20(21)24)15-16-7-9-19(22)10-8-16/h5,7-10,15H,3-4,6,11-14H2,1-2H3/b17-15-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one has a molecular weight of 343.90 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one is sourced from PubChem (CID 6374882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).