2-(ethyliminomethyl)cyclohexan-1-one

C9H15NO — CID 7157401

IUPAC2-(ethyliminomethyl)cyclohexan-1-one
SMILESCC/N=C/C1CCCCC1=O
InChIInChI=1S/C9H15NO/c1-2-10-7-8-5-3-4-6-9(8)11/h7-8H,2-6H2,1H3/b10-7+
InChIKeyJFHSCBPHNHMIRG-JXMROGBWSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds2

About 2-(ethyliminomethyl)cyclohexan-1-one

2-(ethyliminomethyl)cyclohexan-1-one (PubChem CID 7157401) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(ethyliminomethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(ethyliminomethyl)cyclohexan-1-one
PubChem CID7157401
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(ethyliminomethyl)cyclohexan-1-one
SMILESCC/N=C/C1CCCCC1=O
InChIInChI=1S/C9H15NO/c1-2-10-7-8-5-3-4-6-9(8)11/h7-8H,2-6H2,1H3/b10-7+
InChIKeyJFHSCBPHNHMIRG-JXMROGBWSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)cyclohexan-1-one?
The IUPAC name of 2-(ethyliminomethyl)cyclohexan-1-one (CID 7157401) is 2-(ethyliminomethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(ethyliminomethyl)cyclohexan-1-one?
The canonical SMILES for 2-(ethyliminomethyl)cyclohexan-1-one is CC/N=C/C1CCCCC1=O.
What is the InChIKey of 2-(ethyliminomethyl)cyclohexan-1-one?
The InChIKey is JFHSCBPHNHMIRG-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-7-8-5-3-4-6-9(8)11/h7-8H,2-6H2,1H3/b10-7+.
What are the key properties of 2-(ethyliminomethyl)cyclohexan-1-one?
2-(ethyliminomethyl)cyclohexan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)cyclohexan-1-one is sourced from PubChem (CID 7157401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).