(2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one

C15H19NO3 — CID 2189191

IUPAC(2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one
SMILESCOc1ccc(OC)c(N/C=C2/CCCCC2=O)c1
InChIInChI=1S/C15H19NO3/c1-18-12-7-8-15(19-2)13(9-12)16-10-11-5-3-4-6-14(11)17/h7-10,16H,3-6H2,1-2H3/b11-10-
InChIKeyITVQURZJQQGRHF-KHPPLWFESA-N
MW261.32 g/mol
LogP3.14
Rot. Bonds4

About (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one

(2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one (PubChem CID 2189191) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one
PubChem CID2189191
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one
SMILESCOc1ccc(OC)c(N/C=C2/CCCCC2=O)c1
InChIInChI=1S/C15H19NO3/c1-18-12-7-8-15(19-2)13(9-12)16-10-11-5-3-4-6-14(11)17/h7-10,16H,3-6H2,1-2H3/b11-10-
InChIKeyITVQURZJQQGRHF-KHPPLWFESA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2',5'-Dimethoxyacetoacetanilide
CID 80777
Ethyl 2-cyano-3-[(2,5-dimethoxyphenyl)amino]prop-2-enoate
CID 1957350
1-(2,5-Dimethoxyphenyl)piperazine
CID 2758473
N-(2,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 531888
5-[[(2,5-Dimethoxyphenyl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 659997
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
CID 836363
3-[(2,5-Dimethoxyphenyl)amino]-1-phenyl-2-propen-1-one
CID 2291569
1-allyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483582
N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
CID 531821
N-(2,5-Dimethoxyphenyl)butanamide
CID 306871
2',5'-Dimethoxypropionanilide
CID 730454
3-(((2,5-Dimethoxyphenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 659985

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one (CID 2189191) is (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one is COc1ccc(OC)c(N/C=C2/CCCCC2=O)c1.
What is the InChIKey of (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one?
The InChIKey is ITVQURZJQQGRHF-KHPPLWFESA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-12-7-8-15(19-2)13(9-12)16-10-11-5-3-4-6-14(11)17/h7-10,16H,3-6H2,1-2H3/b11-10-.
What are the key properties of (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one?
(2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one has a molecular weight of 261.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,5-dimethoxyanilino)methylidene]cyclohexan-1-one is sourced from PubChem (CID 2189191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).