1-cyclohexyliminopropan-2-one

C9H15NO — CID 13498916

IUPAC1-cyclohexyliminopropan-2-one
SMILESCC(=O)/C=N/C1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(11)7-10-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b10-7+
InChIKeyHXERKZUNOIKVQF-JXMROGBWSA-N
MW153.22 g/mol
LogP1.98
Rot. Bonds2

About 1-cyclohexyliminopropan-2-one

1-cyclohexyliminopropan-2-one (PubChem CID 13498916) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-cyclohexyliminopropan-2-one.

Molecular Properties

Compound Name1-cyclohexyliminopropan-2-one
PubChem CID13498916
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-cyclohexyliminopropan-2-one
SMILESCC(=O)/C=N/C1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(11)7-10-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b10-7+
InChIKeyHXERKZUNOIKVQF-JXMROGBWSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3,5-dihydro-2H-pyridin-4-one
CID 57079119
2-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57208150
2-Cyclohexyliminopentan-3-one
CID 141041761
3-Cyclohexyliminobutan-2-one
CID 21795196

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyliminopropan-2-one?
The IUPAC name of 1-cyclohexyliminopropan-2-one (CID 13498916) is 1-cyclohexyliminopropan-2-one.
What is the SMILES notation for 1-cyclohexyliminopropan-2-one?
The canonical SMILES for 1-cyclohexyliminopropan-2-one is CC(=O)/C=N/C1CCCCC1.
What is the InChIKey of 1-cyclohexyliminopropan-2-one?
The InChIKey is HXERKZUNOIKVQF-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(11)7-10-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b10-7+.
What are the key properties of 1-cyclohexyliminopropan-2-one?
1-cyclohexyliminopropan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyliminopropan-2-one is sourced from PubChem (CID 13498916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).