(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one

C16H20ClNO — CID 6375367

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)CC1CCC/C(=C/c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H20ClNO/c1-18(2)11-14-5-3-4-13(16(14)19)10-12-6-8-15(17)9-7-12/h6-10,14H,3-5,11H2,1-2H3/b13-10-
InChIKeyFJZAXHOHOIQEFL-RAXLEYEMSA-N
MW277.80 g/mol
LogP3.65
Rot. Bonds3

About (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one

(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one (PubChem CID 6375367) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one
PubChem CID6375367
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)CC1CCC/C(=C/c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H20ClNO/c1-18(2)11-14-5-3-4-13(16(14)19)10-12-6-8-15(17)9-7-12/h6-10,14H,3-5,11H2,1-2H3/b13-10-
InChIKeyFJZAXHOHOIQEFL-RAXLEYEMSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one (CID 6375367) is (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one is CN(C)CC1CCC/C(=C/c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one?
The InChIKey is FJZAXHOHOIQEFL-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-18(2)11-14-5-3-4-13(16(14)19)10-12-6-8-15(17)9-7-12/h6-10,14H,3-5,11H2,1-2H3/b13-10-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one?
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one has a molecular weight of 277.80 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 6375367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).