(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline

C10H13N — CID 118258601

IUPAC(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline
SMILESC[C@@H]1N=CC=C2C=CCCC21
InChIInChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2,4,6-8,10H,3,5H2,1H3/t8-,10?/m0/s1
InChIKeyFFMLVBPEOFXTPC-PEHGTWAWSA-N
MW147.22 g/mol
LogP2.35
Rot. Bonds

About (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline

(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline (PubChem CID 118258601) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline
PubChem CID118258601
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline
SMILESC[C@@H]1N=CC=C2C=CCCC21
InChIInChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2,4,6-8,10H,3,5H2,1H3/t8-,10?/m0/s1
InChIKeyFFMLVBPEOFXTPC-PEHGTWAWSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline?
The IUPAC name of (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline (CID 118258601) is (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline?
The canonical SMILES for (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline is C[C@@H]1N=CC=C2C=CCCC21.
What is the InChIKey of (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline?
The InChIKey is FFMLVBPEOFXTPC-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2,4,6-8,10H,3,5H2,1H3/t8-,10?/m0/s1.
What are the key properties of (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline?
(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline has a molecular weight of 147.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline is sourced from PubChem (CID 118258601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).