1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate

C11H19NO3 — CID 67901835

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate
SMILESCOC(=O)OC1CCNC2CCCCC21
InChIInChI=1S/C11H19NO3/c1-14-11(13)15-10-6-7-12-9-5-3-2-4-8(9)10/h8-10,12H,2-7H2,1H3
InChIKeyBCNDZVAFJJAWKZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.69
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate (PubChem CID 67901835) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate
PubChem CID67901835
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate
SMILESCOC(=O)OC1CCNC2CCCCC21
InChIInChI=1S/C11H19NO3/c1-14-11(13)15-10-6-7-12-9-5-3-2-4-8(9)10/h8-10,12H,2-7H2,1H3
InChIKeyBCNDZVAFJJAWKZ-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate (CID 67901835) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate is COC(=O)OC1CCNC2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate?
The InChIKey is BCNDZVAFJJAWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-11(13)15-10-6-7-12-9-5-3-2-4-8(9)10/h8-10,12H,2-7H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate has a molecular weight of 213.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl methyl carbonate is sourced from PubChem (CID 67901835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).