1-(4-methanimidoylcyclohexyl)propan-2-one

C10H17NO — CID 166884507

IUPAC1-(4-methanimidoylcyclohexyl)propan-2-one
SMILES[H]/N=C/C1CCC(CC(C)=O)CC1
InChIInChI=1S/C10H17NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h7,9-11H,2-6H2,1H3/b11-7+
InChIKeySCJMUTOHNYPUFZ-YRNVUSSQSA-N
MW167.25 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-methanimidoylcyclohexyl)propan-2-one

1-(4-methanimidoylcyclohexyl)propan-2-one (PubChem CID 166884507) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(4-methanimidoylcyclohexyl)propan-2-one.

Molecular Properties

Compound Name1-(4-methanimidoylcyclohexyl)propan-2-one
PubChem CID166884507
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(4-methanimidoylcyclohexyl)propan-2-one
SMILES[H]/N=C/C1CCC(CC(C)=O)CC1
InChIInChI=1S/C10H17NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h7,9-11H,2-6H2,1H3/b11-7+
InChIKeySCJMUTOHNYPUFZ-YRNVUSSQSA-N
XLogP2.42
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexadecylpropan-2-one
CID 175123721
3,3-dimethyl-1-[4-(2-oxopropyl)cyclohexyl]butan-2-one
CID 21340947
1-[4-(1,1-dihydroxyethyl)cyclohexyl]propan-2-one
CID 174392366
1-cyclopropylpropan-2-imine
CID 146731572
1-(3-propan-2-ylcyclopentyl)propan-2-one
CID 89323267
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
ethane;1-(3-iminocyclopentyl)propan-2-one
CID 176955658
1-cyclobutylpropan-2-one;ethyl formate
CID 174968051
[3-(2-oxopropyl)cyclopentyl] acetate
CID 71394247
carbonobromidimidoyl 4-(2-oxopropyl)piperidine-1-carboximidothioate
CID 167608453
1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
CID 66804444
1-[4-[ethoxy(hydroxy)methyl]cyclohexyl]propan-2-one
CID 163849050

Frequently Asked Questions

What is the IUPAC name of 1-(4-methanimidoylcyclohexyl)propan-2-one?
The IUPAC name of 1-(4-methanimidoylcyclohexyl)propan-2-one (CID 166884507) is 1-(4-methanimidoylcyclohexyl)propan-2-one.
What is the SMILES notation for 1-(4-methanimidoylcyclohexyl)propan-2-one?
The canonical SMILES for 1-(4-methanimidoylcyclohexyl)propan-2-one is [H]/N=C/C1CCC(CC(C)=O)CC1.
What is the InChIKey of 1-(4-methanimidoylcyclohexyl)propan-2-one?
The InChIKey is SCJMUTOHNYPUFZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h7,9-11H,2-6H2,1H3/b11-7+.
What are the key properties of 1-(4-methanimidoylcyclohexyl)propan-2-one?
1-(4-methanimidoylcyclohexyl)propan-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methanimidoylcyclohexyl)propan-2-one is sourced from PubChem (CID 166884507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).