1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate

C12H19NO2 — CID 59823407

IUPAC1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate
SMILESCCC(=O)OC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C12H19NO2/c1-2-11(14)15-12-9-3-8-4-10(12)7-13(5-8)6-9/h8-10,12H,2-7H2,1H3
InChIKeyWNPWCKWMDOAKLH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.28
Rot. Bonds2

About 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate

1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate (PubChem CID 59823407) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate.

Molecular Properties

Compound Name1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate
PubChem CID59823407
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate
SMILESCCC(=O)OC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C12H19NO2/c1-2-11(14)15-12-9-3-8-4-10(12)7-13(5-8)6-9/h8-10,12H,2-7H2,1H3
InChIKeyWNPWCKWMDOAKLH-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate?
The IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate (CID 59823407) is 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate.
What is the SMILES notation for 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate?
The canonical SMILES for 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate is CCC(=O)OC1C2CC3CC1CN(C3)C2.
What is the InChIKey of 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate?
The InChIKey is WNPWCKWMDOAKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-11(14)15-12-9-3-8-4-10(12)7-13(5-8)6-9/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate?
1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate has a molecular weight of 209.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[3.3.1.13,7]decan-4-yl propanoate is sourced from PubChem (CID 59823407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).