2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone

C11H16O3 — CID 20530905

IUPAC2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone
SMILESO=C(C1OCCO1)C1CC2CCC1C2
InChIInChI=1S/C11H16O3/c12-10(11-13-3-4-14-11)9-6-7-1-2-8(9)5-7/h7-9,11H,1-6H2
InChIKeyYRNUDICPGFSELP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone

2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone (PubChem CID 20530905) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone
PubChem CID20530905
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone
SMILESO=C(C1OCCO1)C1CC2CCC1C2
InChIInChI=1S/C11H16O3/c12-10(11-13-3-4-14-11)9-6-7-1-2-8(9)5-7/h7-9,11H,1-6H2
InChIKeyYRNUDICPGFSELP-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone (CID 20530905) is 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone is O=C(C1OCCO1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone?
The InChIKey is YRNUDICPGFSELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-10(11-13-3-4-14-11)9-6-7-1-2-8(9)5-7/h7-9,11H,1-6H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone?
2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone has a molecular weight of 196.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl(1,3-dioxolan-2-yl)methanone is sourced from PubChem (CID 20530905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).