1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one

C15H24O2 — CID 114976894

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
SMILESO=C(CCC1CCCO1)CC1CC2CCC1C2
InChIInChI=1S/C15H24O2/c16-14(5-6-15-2-1-7-17-15)10-13-9-11-3-4-12(13)8-11/h11-13,15H,1-10H2
InChIKeyWSKOUKYKCZOCTK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one

1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one (PubChem CID 114976894) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
PubChem CID114976894
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
SMILESO=C(CCC1CCCO1)CC1CC2CCC1C2
InChIInChI=1S/C15H24O2/c16-14(5-6-15-2-1-7-17-15)10-13-9-11-3-4-12(13)8-11/h11-13,15H,1-10H2
InChIKeyWSKOUKYKCZOCTK-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976701
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
CID 116607458
4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
CID 114969240
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-one
CID 115801619
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
[1-(2-bicyclo[2.2.1]heptanyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105323482
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013
5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one
CID 116578391

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one (CID 114976894) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one is O=C(CCC1CCCO1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one?
The InChIKey is WSKOUKYKCZOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c16-14(5-6-15-2-1-7-17-15)10-13-9-11-3-4-12(13)8-11/h11-13,15H,1-10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one?
1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one is sourced from PubChem (CID 114976894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).