2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one

C14H17NO — CID 150516448

IUPAC2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(=Cc2ccc(N)cc2)C1
InChIInChI=1S/C14H17NO/c1-10-2-7-14(16)12(8-10)9-11-3-5-13(15)6-4-11/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyIAXLYGGBCIMTMG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.04
Rot. Bonds1

About 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one

2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one (PubChem CID 150516448) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one
PubChem CID150516448
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(=Cc2ccc(N)cc2)C1
InChIInChI=1S/C14H17NO/c1-10-2-7-14(16)12(8-10)9-11-3-5-13(15)6-4-11/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyIAXLYGGBCIMTMG-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 68642658
2-[(4-azidophenyl)methylidene]-4-methylcyclohexan-1-one
CID 73432900
(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one
CID 142412170
(2E,6E)-2,6-bis[(4-aminophenyl)methylidene]-4-ethylcyclohexan-1-one
CID 126500097
(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one
CID 63706279
4-chloro-2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 68642839
2-benzylidene-4-ethylcyclohexan-1-one
CID 68642982
2,6-bis[(4-fluorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 3564829
(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one
CID 6303931
(2Z,6E)-2,6-bis[(4-tert-butylphenyl)methylidene]-4-methylcyclohexan-1-one
CID 17370191
4-fluoro-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one;4-fluoro-2-[(4-methylphenyl)methylidene]cyclohexan-1-one
CID 68643165
2-[(2,3-diazidophenyl)methylidene]-4-methylcyclohexan-1-one
CID 175033908

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one (CID 150516448) is 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one is CC1CCC(=O)C(=Cc2ccc(N)cc2)C1.
What is the InChIKey of 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one?
The InChIKey is IAXLYGGBCIMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-2-7-14(16)12(8-10)9-11-3-5-13(15)6-4-11/h3-6,9-10H,2,7-8,15H2,1H3.
What are the key properties of 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one?
2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one is sourced from PubChem (CID 150516448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).