(2Z)-2-(anilinomethylidene)cyclohexan-1-one

C13H15NO — CID 2305450

IUPAC(2Z)-2-(anilinomethylidene)cyclohexan-1-one
SMILESO=C1CCCC/C1=C/Nc1ccccc1
InChIInChI=1S/C13H15NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-3,7-8,10,14H,4-6,9H2/b11-10-
InChIKeyNPUHFHWONDLTGH-KHPPLWFESA-N
MW201.27 g/mol
LogP3.13
Rot. Bonds2

About (2Z)-2-(anilinomethylidene)cyclohexan-1-one

(2Z)-2-(anilinomethylidene)cyclohexan-1-one (PubChem CID 2305450) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2Z)-2-(anilinomethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-(anilinomethylidene)cyclohexan-1-one
PubChem CID2305450
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2Z)-2-(anilinomethylidene)cyclohexan-1-one
SMILESO=C1CCCC/C1=C/Nc1ccccc1
InChIInChI=1S/C13H15NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-3,7-8,10,14H,4-6,9H2/b11-10-
InChIKeyNPUHFHWONDLTGH-KHPPLWFESA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Phenylamino)-2-cyclohexen-1-one
CID 98795
(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one
CID 7472265
3-Anilino-1-phenyl-2-propen-1-one
CID 5344884
(E)-1-[4-(dimethylamino)anilino]-4,4-dimethylpent-1-en-3-one
CID 2187659
1-[4-(Dimethylamino)anilino]-4,4-dimethylpent-1-en-3-one
CID 889658
2-({[3-(Trifluoromethyl)phenyl]amino}methylene)cyclohexanone
CID 1783558
(2Z)-2-{[(4-chlorophenyl)amino]methylene}cyclopentanone
CID 16193238
N-(4-{[(Z)-(2-oxocyclopentylidene)methyl]amino}phenyl)acetamide
CID 1968289
3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene
CID 5630271
Phenol, 2-((phenylimino)methyl)-, N-oxide
CID 5368324
1-Anilino-4,4,5,5,6,6,6-heptafluorohex-1-en-3-one
CID 71360990
1-Phenyl-3-(phenylamino)propan-1-one
CID 278649

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(anilinomethylidene)cyclohexan-1-one?
The IUPAC name of (2Z)-2-(anilinomethylidene)cyclohexan-1-one (CID 2305450) is (2Z)-2-(anilinomethylidene)cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-(anilinomethylidene)cyclohexan-1-one?
The canonical SMILES for (2Z)-2-(anilinomethylidene)cyclohexan-1-one is O=C1CCCC/C1=C/Nc1ccccc1.
What is the InChIKey of (2Z)-2-(anilinomethylidene)cyclohexan-1-one?
The InChIKey is NPUHFHWONDLTGH-KHPPLWFESA-N. The full InChI is InChI=1S/C13H15NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-3,7-8,10,14H,4-6,9H2/b11-10-.
What are the key properties of (2Z)-2-(anilinomethylidene)cyclohexan-1-one?
(2Z)-2-(anilinomethylidene)cyclohexan-1-one has a molecular weight of 201.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(anilinomethylidene)cyclohexan-1-one is sourced from PubChem (CID 2305450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).