(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline

C15H21NO — CID 59542246

IUPAC(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline
SMILESCOC[C@]12CCCN[C@H]1c1ccccc1CC2
InChIInChI=1S/C15H21NO/c1-17-11-15-8-4-10-16-14(15)13-6-3-2-5-12(13)7-9-15/h2-3,5-6,14,16H,4,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyYAUSZMUMAHICTG-LSDHHAIUSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds2

About (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline

(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline (PubChem CID 59542246) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline.

Molecular Properties

Compound Name(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline
PubChem CID59542246
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline
SMILESCOC[C@]12CCCN[C@H]1c1ccccc1CC2
InChIInChI=1S/C15H21NO/c1-17-11-15-8-4-10-16-14(15)13-6-3-2-5-12(13)7-9-15/h2-3,5-6,14,16H,4,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyYAUSZMUMAHICTG-LSDHHAIUSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline?
The IUPAC name of (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline (CID 59542246) is (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline.
What is the SMILES notation for (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline?
The canonical SMILES for (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline is COC[C@]12CCCN[C@H]1c1ccccc1CC2.
What is the InChIKey of (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline?
The InChIKey is YAUSZMUMAHICTG-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-11-15-8-4-10-16-14(15)13-6-3-2-5-12(13)7-9-15/h2-3,5-6,14,16H,4,7-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline?
(4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline has a molecular weight of 231.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4a-(methoxymethyl)-2,3,4,5,6,10b-hexahydro-1H-benzo[h]quinoline is sourced from PubChem (CID 59542246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).