1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one

C16H23NO — CID 114458215

IUPAC1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccnc1CC(=O)CC1CCCCCC1
InChIInChI=1S/C16H23NO/c1-13-7-6-10-17-16(13)12-15(18)11-14-8-4-2-3-5-9-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3
InChIKeyXUFIMKYRZIVIJD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.86
Rot. Bonds4

About 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one

1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one (PubChem CID 114458215) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
PubChem CID114458215
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccnc1CC(=O)CC1CCCCCC1
InChIInChI=1S/C16H23NO/c1-13-7-6-10-17-16(13)12-15(18)11-14-8-4-2-3-5-9-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3
InChIKeyXUFIMKYRZIVIJD-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 112651216
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
CID 107148643
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one (CID 114458215) is 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one is Cc1cccnc1CC(=O)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one?
The InChIKey is XUFIMKYRZIVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-7-6-10-17-16(13)12-15(18)11-14-8-4-2-3-5-9-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3.
What are the key properties of 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one?
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 114458215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).