3-(3-methoxyphenyl)iminocyclohexan-1-one

C13H15NO2 — CID 90695687

IUPAC3-(3-methoxyphenyl)iminocyclohexan-1-one
SMILESCOc1cccc(/N=C2/CCCC(=O)C2)c1
InChIInChI=1S/C13H15NO2/c1-16-13-7-3-5-11(9-13)14-10-4-2-6-12(15)8-10/h3,5,7,9H,2,4,6,8H2,1H3/b14-10-
InChIKeyKANIMLKHEVKPSK-UVTDQMKNSA-N
MW217.27 g/mol
LogP2.91
Rot. Bonds2

About 3-(3-methoxyphenyl)iminocyclohexan-1-one

3-(3-methoxyphenyl)iminocyclohexan-1-one (PubChem CID 90695687) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)iminocyclohexan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)iminocyclohexan-1-one
PubChem CID90695687
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(3-methoxyphenyl)iminocyclohexan-1-one
SMILESCOc1cccc(/N=C2/CCCC(=O)C2)c1
InChIInChI=1S/C13H15NO2/c1-16-13-7-3-5-11(9-13)14-10-4-2-6-12(15)8-10/h3,5,7,9H,2,4,6,8H2,1H3/b14-10-
InChIKeyKANIMLKHEVKPSK-UVTDQMKNSA-N
XLogP2.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxyphenyl)iminomethyl]cyclohexane-1,3-dione
CID 123474402
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032
(2Z)-2-(1-hydroxy-2-naphthalen-1-ylethylidene)-3-(3-methoxyphenyl)iminocyclohexan-1-one
CID 135608838
2-(1-hydroxy-2-naphthalen-1-ylethylidene)-3-(3-methoxyphenyl)iminocyclohexan-1-one
CID 135526210
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
3-(3-methoxyphenoxy)cyclohexan-1-one
CID 79618587
5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410270
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)iminocyclohexan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)iminocyclohexan-1-one (CID 90695687) is 3-(3-methoxyphenyl)iminocyclohexan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)iminocyclohexan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)iminocyclohexan-1-one is COc1cccc(/N=C2/CCCC(=O)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)iminocyclohexan-1-one?
The InChIKey is KANIMLKHEVKPSK-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13-7-3-5-11(9-13)14-10-4-2-6-12(15)8-10/h3,5,7,9H,2,4,6,8H2,1H3/b14-10-.
What are the key properties of 3-(3-methoxyphenyl)iminocyclohexan-1-one?
3-(3-methoxyphenyl)iminocyclohexan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)iminocyclohexan-1-one is sourced from PubChem (CID 90695687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).