[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate

C10H15NO2 — CID 90443421

IUPAC[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate
SMILESO=COC1C2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C10H15NO2/c12-6-13-10-8-1-7-2-9(10)5-11(3-7)4-8/h6-10H,1-5H2/t7?,8-,9?,10?/m0/s1
InChIKeyKPTMAEIYVNLZIL-QKTHJCGZSA-N
MW181.23 g/mol
LogP0.50
Rot. Bonds2

About [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate

[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate (PubChem CID 90443421) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate.

Molecular Properties

Compound Name[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate
PubChem CID90443421
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate
SMILESO=COC1C2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C10H15NO2/c12-6-13-10-8-1-7-2-9(10)5-11(3-7)4-8/h6-10H,1-5H2/t7?,8-,9?,10?/m0/s1
InChIKeyKPTMAEIYVNLZIL-QKTHJCGZSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate?
The IUPAC name of [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate (CID 90443421) is [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate.
What is the SMILES notation for [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate?
The canonical SMILES for [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate is O=COC1C2CC3C[C@H]1CN(C3)C2.
What is the InChIKey of [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate?
The InChIKey is KPTMAEIYVNLZIL-QKTHJCGZSA-N. The full InChI is InChI=1S/C10H15NO2/c12-6-13-10-8-1-7-2-9(10)5-11(3-7)4-8/h6-10H,1-5H2/t7?,8-,9?,10?/m0/s1.
What are the key properties of [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate?
[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate has a molecular weight of 181.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate is sourced from PubChem (CID 90443421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).