2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone

C15H24O — CID 115784897

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
SMILESCC1(C(=O)CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H24O/c1-15(6-2-3-7-15)14(16)10-13-9-11-4-5-12(13)8-11/h11-13H,2-10H2,1H3
InChIKeyNEUHYDLZYYISHN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone (PubChem CID 115784897) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
PubChem CID115784897
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
SMILESCC1(C(=O)CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H24O/c1-15(6-2-3-7-15)14(16)10-13-9-11-4-5-12(13)8-11/h11-13H,2-10H2,1H3
InChIKeyNEUHYDLZYYISHN-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone with MolForge

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570498
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide
CID 107422950
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
CID 79561425
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 113344037
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79558871
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone (CID 115784897) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone is CC1(C(=O)CC2CC3CCC2C3)CCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone?
The InChIKey is NEUHYDLZYYISHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-15(6-2-3-7-15)14(16)10-13-9-11-4-5-12(13)8-11/h11-13H,2-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone has a molecular weight of 220.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone is sourced from PubChem (CID 115784897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).