1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one

C14H24O — CID 159095306

IUPAC1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one
SMILESCCC(=O)C12CCC(CC(C)C)(CC1)C2
InChIInChI=1S/C14H24O/c1-4-12(15)14-7-5-13(10-14,6-8-14)9-11(2)3/h11H,4-10H2,1-3H3
InChIKeyGRAZLWHOJIALCG-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one

1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one (PubChem CID 159095306) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one
PubChem CID159095306
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one
SMILESCCC(=O)C12CCC(CC(C)C)(CC1)C2
InChIInChI=1S/C14H24O/c1-4-12(15)14-7-5-13(10-14,6-8-14)9-11(2)3/h11H,4-10H2,1-3H3
InChIKeyGRAZLWHOJIALCG-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide
CID 59462871
1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
CID 142382393
S-sulfanyl 4-propanoylbicyclo[2.2.2]octane-1-carbothioate
CID 138721490
1-(1-propanoylcyclopropyl)propan-1-one
CID 5243904
2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide
CID 155338644
1-(3-propan-2-yl-1-adamantyl)propan-1-one
CID 12659808
1-isocyano-4-(2-methylpropyl)bicyclo[2.1.1]hexane
CID 159976296
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
1-[1-(difluoromethyl)cyclopropyl]propan-1-one
CID 121391930
ethyl 3-[1-(2-methylpropyl)cyclopropyl]-3-oxopropanoate
CID 139604815
methyl 4-(2-oxoethyl)bicyclo[2.2.1]heptane-1-carboxylate
CID 135392728
1-propanoylcyclopropane-1-carboxylic acid
CID 89112237

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one (CID 159095306) is 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one is CCC(=O)C12CCC(CC(C)C)(CC1)C2.
What is the InChIKey of 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one?
The InChIKey is GRAZLWHOJIALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-12(15)14-7-5-13(10-14,6-8-14)9-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one?
1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one has a molecular weight of 208.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-1-bicyclo[2.2.1]heptanyl]propan-1-one is sourced from PubChem (CID 159095306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).