2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one

C14H15Cl2NO — CID 90809664

IUPAC2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one
SMILESCC1(C)CC/C(=N\c2ccc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C14H15Cl2NO/c1-14(2)6-5-12(13(18)8-14)17-11-4-3-9(15)7-10(11)16/h3-4,7H,5-6,8H2,1-2H3/b17-12+
InChIKeyALXDNSWSCPZNBM-SFQUDFHCSA-N
MW284.19 g/mol
LogP4.85
Rot. Bonds1

About 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one

2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one (PubChem CID 90809664) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one
PubChem CID90809664
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one
SMILESCC1(C)CC/C(=N\c2ccc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C14H15Cl2NO/c1-14(2)6-5-12(13(18)8-14)17-11-4-3-9(15)7-10(11)16/h3-4,7H,5-6,8H2,1-2H3/b17-12+
InChIKeyALXDNSWSCPZNBM-SFQUDFHCSA-N
XLogP4.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one (CID 90809664) is 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one is CC1(C)CC/C(=N\c2ccc(Cl)cc2Cl)C(=O)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one?
The InChIKey is ALXDNSWSCPZNBM-SFQUDFHCSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-14(2)6-5-12(13(18)8-14)17-11-4-3-9(15)7-10(11)16/h3-4,7H,5-6,8H2,1-2H3/b17-12+.
What are the key properties of 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one?
2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one has a molecular weight of 284.19 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)imino-5,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 90809664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).