2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one

C14H17NO2 — CID 3557517

IUPAC2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one
SMILESCCOc1ccc(NC=C2CCCC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-2-17-13-8-6-12(7-9-13)15-10-11-4-3-5-14(11)16/h6-10,15H,2-5H2,1H3
InChIKeyRRISYFXMYMMVHE-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.13
Rot. Bonds4

About 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one

2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one (PubChem CID 3557517) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one
PubChem CID3557517
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one
SMILESCCOc1ccc(NC=C2CCCC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-2-17-13-8-6-12(7-9-13)15-10-11-4-3-5-14(11)16/h6-10,15H,2-5H2,1H3
InChIKeyRRISYFXMYMMVHE-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(2-oxocyclohexylidene)methylamino]anilino]methylidene]cyclohexan-1-one
CID 3847923
(2E)-2-[[4-(4-methoxyphenoxy)anilino]methylidene]cycloheptan-1-one
CID 124548641
N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide
CID 933987
2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 68643092
2,6-bis[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 5183366
4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid
CID 890959
(1R,3Z,4R)-3-[(4-ethoxyanilino)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98102344
3-[(4-ethoxyanilino)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2750923
(1R,4R)-3-[(4-ethoxyanilino)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 162812947
2-[(3-methoxyanilino)methylidene]cycloheptan-1-one
CID 3903364
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one?
The IUPAC name of 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one (CID 3557517) is 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one?
The canonical SMILES for 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one is CCOc1ccc(NC=C2CCCC2=O)cc1.
What is the InChIKey of 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one?
The InChIKey is RRISYFXMYMMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-13-8-6-12(7-9-13)15-10-11-4-3-5-14(11)16/h6-10,15H,2-5H2,1H3.
What are the key properties of 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one?
2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one has a molecular weight of 231.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one is sourced from PubChem (CID 3557517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).