1-methylidene-8aH-isoquinoline

C10H9N — CID 72577554

IUPAC1-methylidene-8aH-isoquinoline
SMILESC=C1N=CC=C2C=CC=CC12
InChIInChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7,10H,1H2
InChIKeyRQEYVVTXWXTSMM-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.25
Rot. Bonds

About 1-methylidene-8aH-isoquinoline

1-methylidene-8aH-isoquinoline (PubChem CID 72577554) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-methylidene-8aH-isoquinoline.

Molecular Properties

Compound Name1-methylidene-8aH-isoquinoline
PubChem CID72577554
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1-methylidene-8aH-isoquinoline
SMILESC=C1N=CC=C2C=CC=CC12
InChIInChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7,10H,1H2
InChIKeyRQEYVVTXWXTSMM-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroquinoline
CID 94356
6h,7h-Quinoline
CID 67835501
4a,5,6,7-Tetrahydroquinoline
CID 77755842
7,7-Dimethylquinoline
CID 129752244
Pyrrolo[2,3-e]quinoline
CID 129792443
7-(Trifluoromethyl)-6,7-dihydroquinoline
CID 123382262
7-Methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline
CID 163504800
7-Fluoro-8-(fluoromethyl)-4a,5-dihydroquinoline
CID 164006747
7aH-pyrazino[2,1-a]isoquinoline
CID 90945867
10a,10b-Dihydrobenzo[f]quinoline
CID 91482637
Methylenedibenzoazepine
CID 129872675
11-Azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene
CID 56609890

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-8aH-isoquinoline?
The IUPAC name of 1-methylidene-8aH-isoquinoline (CID 72577554) is 1-methylidene-8aH-isoquinoline.
What is the SMILES notation for 1-methylidene-8aH-isoquinoline?
The canonical SMILES for 1-methylidene-8aH-isoquinoline is C=C1N=CC=C2C=CC=CC12.
What is the InChIKey of 1-methylidene-8aH-isoquinoline?
The InChIKey is RQEYVVTXWXTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7,10H,1H2.
What are the key properties of 1-methylidene-8aH-isoquinoline?
1-methylidene-8aH-isoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-8aH-isoquinoline is sourced from PubChem (CID 72577554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).