[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate

C10H18N2O2 — CID 22820329

IUPAC[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate
SMILESNC(=O)O[C@H]1CCNC2CCCC[C@H]21
InChIInChI=1S/C10H18N2O2/c11-10(13)14-9-5-6-12-8-4-2-1-3-7(8)9/h7-9,12H,1-6H2,(H2,11,13)/t7-,8?,9+/m1/s1
InChIKeyGQBQHWXLLDOENG-NBXIYJJMSA-N
MW198.27 g/mol
LogP1.00
Rot. Bonds1

About [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate

[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate (PubChem CID 22820329) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate.

Molecular Properties

Compound Name[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate
PubChem CID22820329
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate
SMILESNC(=O)O[C@H]1CCNC2CCCC[C@H]21
InChIInChI=1S/C10H18N2O2/c11-10(13)14-9-5-6-12-8-4-2-1-3-7(8)9/h7-9,12H,1-6H2,(H2,11,13)/t7-,8?,9+/m1/s1
InChIKeyGQBQHWXLLDOENG-NBXIYJJMSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate?
The IUPAC name of [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate (CID 22820329) is [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate.
What is the SMILES notation for [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate?
The canonical SMILES for [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate is NC(=O)O[C@H]1CCNC2CCCC[C@H]21.
What is the InChIKey of [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate?
The InChIKey is GQBQHWXLLDOENG-NBXIYJJMSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(13)14-9-5-6-12-8-4-2-1-3-7(8)9/h7-9,12H,1-6H2,(H2,11,13)/t7-,8?,9+/m1/s1.
What are the key properties of [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate?
[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate has a molecular weight of 198.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate is sourced from PubChem (CID 22820329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).