7-methyl-4,4a-dihydroisoquinoline

C10H11N — CID 167009879

IUPAC7-methyl-4,4a-dihydroisoquinoline
SMILESCC1=CC2=CN=CCC2C=C1
InChIInChI=1S/C10H11N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,5-7,9H,4H2,1H3
InChIKeyDTPBQCBHKWGMQI-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About 7-methyl-4,4a-dihydroisoquinoline

7-methyl-4,4a-dihydroisoquinoline (PubChem CID 167009879) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 7-methyl-4,4a-dihydroisoquinoline.

Molecular Properties

Compound Name7-methyl-4,4a-dihydroisoquinoline
PubChem CID167009879
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name7-methyl-4,4a-dihydroisoquinoline
SMILESCC1=CC2=CN=CCC2C=C1
InChIInChI=1S/C10H11N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,5-7,9H,4H2,1H3
InChIKeyDTPBQCBHKWGMQI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azaphenalenyl
CID 12996720
5,5a-dihydro-4H-2-benzazepine
CID 18435514
6-propyl-3H-azepine
CID 53671035
11H-benzo[i]isoquinoline
CID 54283789
3-Azabicyclo[4.2.0]octa-1,3,7-triene
CID 57130799
4H-cyclohepta[c]pyridine
CID 57168320
4,8-Dihydroisoquinoline
CID 57298362
6,7-Dimethyl-4a,5,8,8a-tetrahydroisoquinoline
CID 57614232
1,6-Dimethyl-6,7-dihydroisoquinoline
CID 58717366
4-methyl-8H-isoquinolin-8-ide;yttrium
CID 59098051
1,4-Dimethyl-1,8a-dihydroisoquinoline
CID 67987318
8,8a-Dihydroisoquinoline
CID 68024586

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,4a-dihydroisoquinoline?
The IUPAC name of 7-methyl-4,4a-dihydroisoquinoline (CID 167009879) is 7-methyl-4,4a-dihydroisoquinoline.
What is the SMILES notation for 7-methyl-4,4a-dihydroisoquinoline?
The canonical SMILES for 7-methyl-4,4a-dihydroisoquinoline is CC1=CC2=CN=CCC2C=C1.
What is the InChIKey of 7-methyl-4,4a-dihydroisoquinoline?
The InChIKey is DTPBQCBHKWGMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,5-7,9H,4H2,1H3.
What are the key properties of 7-methyl-4,4a-dihydroisoquinoline?
7-methyl-4,4a-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,4a-dihydroisoquinoline is sourced from PubChem (CID 167009879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).