(2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one

C15H19NO — CID 25214030

IUPAC(2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one
SMILESC[C@@H]1CC/C(=C/N(C)c2ccccc2)C(=O)C1
InChIInChI=1S/C15H19NO/c1-12-8-9-13(15(17)10-12)11-16(2)14-6-4-3-5-7-14/h3-7,11-12H,8-10H2,1-2H3/b13-11-/t12-/m1/s1
InChIKeyPUUUGQOZUKLBRB-NPRUJURCSA-N
MW229.32 g/mol
LogP3.40
Rot. Bonds2

About (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one

(2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one (PubChem CID 25214030) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one
PubChem CID25214030
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one
SMILESC[C@@H]1CC/C(=C/N(C)c2ccccc2)C(=O)C1
InChIInChI=1S/C15H19NO/c1-12-8-9-13(15(17)10-12)11-16(2)14-6-4-3-5-7-14/h3-7,11-12H,8-10H2,1-2H3/b13-11-/t12-/m1/s1
InChIKeyPUUUGQOZUKLBRB-NPRUJURCSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.40
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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Related Compounds

1-Methyl-4-quinolone
CID 6748
4-Dimethylaminochalcone
CID 5377268
Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-
CID 5702661
2,6-Bis(4-(dimethylamino)benzylidene)-1-cyclohexanone
CID 1550696
trans,trans-Bis[4-(dimethylamino)benzylidene]acetone
CID 785543
2,5-Bis(4-dimethylaminobenzylidene)cyclopentanone
CID 6382486
BW284C51
CID 1338
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 1551607
1-(4-acetylphenyl)-4(1H)-pyridinone
CID 3815063
4-(4-N,N-dimethylaminophenyl)but-3-en-2-one
CID 736580
1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
CID 21177863
2-Butyryl-5,5-dimethyl-3-(methylanilino)-2-cyclohexen-1-one
CID 788283

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one (CID 25214030) is (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one is C[C@@H]1CC/C(=C/N(C)c2ccccc2)C(=O)C1.
What is the InChIKey of (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one?
The InChIKey is PUUUGQOZUKLBRB-NPRUJURCSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-8-9-13(15(17)10-12)11-16(2)14-6-4-3-5-7-14/h3-7,11-12H,8-10H2,1-2H3/b13-11-/t12-/m1/s1.
What are the key properties of (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one?
(2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-5-methyl-2-[(N-methylanilino)methylidene]cyclohexan-1-one is sourced from PubChem (CID 25214030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).