1-methyl-1,8a-dihydroisoquinoline

C10H11N — CID 144968891

IUPAC1-methyl-1,8a-dihydroisoquinoline
SMILESCC1N=CC=C2C=CC=CC21
InChIInChI=1S/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-8,10H,1H3
InChIKeyHZMTZGOZRIPGHO-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.13
Rot. Bonds

About 1-methyl-1,8a-dihydroisoquinoline

1-methyl-1,8a-dihydroisoquinoline (PubChem CID 144968891) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methyl-1,8a-dihydroisoquinoline.

Molecular Properties

Compound Name1-methyl-1,8a-dihydroisoquinoline
PubChem CID144968891
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-methyl-1,8a-dihydroisoquinoline
SMILESCC1N=CC=C2C=CC=CC21
InChIInChI=1S/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-8,10H,1H3
InChIKeyHZMTZGOZRIPGHO-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
2-(4,6-Difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
CID 164766148
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
9bH-benzo[de]quinoline
CID 57001454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,8a-dihydroisoquinoline?
The IUPAC name of 1-methyl-1,8a-dihydroisoquinoline (CID 144968891) is 1-methyl-1,8a-dihydroisoquinoline.
What is the SMILES notation for 1-methyl-1,8a-dihydroisoquinoline?
The canonical SMILES for 1-methyl-1,8a-dihydroisoquinoline is CC1N=CC=C2C=CC=CC21.
What is the InChIKey of 1-methyl-1,8a-dihydroisoquinoline?
The InChIKey is HZMTZGOZRIPGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-8,10H,1H3.
What are the key properties of 1-methyl-1,8a-dihydroisoquinoline?
1-methyl-1,8a-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,8a-dihydroisoquinoline is sourced from PubChem (CID 144968891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).