8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one

C12H19NO2 — CID 167249898

IUPAC8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one
SMILESCC1(N)CC2CC3CC(CC1C3)C(=O)O2
InChIInChI=1S/C12H19NO2/c1-12(13)6-10-4-7-2-8(11(14)15-10)5-9(12)3-7/h7-10H,2-6,13H2,1H3
InChIKeyDOEFCYLDDVJCTB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds

About 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one

8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one (PubChem CID 167249898) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one.

Molecular Properties

Compound Name8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one
PubChem CID167249898
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one
SMILESCC1(N)CC2CC3CC(CC1C3)C(=O)O2
InChIInChI=1S/C12H19NO2/c1-12(13)6-10-4-7-2-8(11(14)15-10)5-9(12)3-7/h7-10H,2-6,13H2,1H3
InChIKeyDOEFCYLDDVJCTB-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one?
The IUPAC name of 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one (CID 167249898) is 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one.
What is the SMILES notation for 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one?
The canonical SMILES for 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one is CC1(N)CC2CC3CC(CC1C3)C(=O)O2.
What is the InChIKey of 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one?
The InChIKey is DOEFCYLDDVJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(13)6-10-4-7-2-8(11(14)15-10)5-9(12)3-7/h7-10H,2-6,13H2,1H3.
What are the key properties of 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one?
8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one is sourced from PubChem (CID 167249898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).