6-methylidene-4,7-dihydro-1H-isoquinoline

C10H11N — CID 57125600

IUPAC6-methylidene-4,7-dihydro-1H-isoquinoline
SMILESC=C1C=C2CC=NCC2=CC1
InChIInChI=1S/C10H11N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h3,5-6H,1-2,4,7H2
InChIKeyLIQRVPRFEJKNKY-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.27
Rot. Bonds

About 6-methylidene-4,7-dihydro-1H-isoquinoline

6-methylidene-4,7-dihydro-1H-isoquinoline (PubChem CID 57125600) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 6-methylidene-4,7-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methylidene-4,7-dihydro-1H-isoquinoline
PubChem CID57125600
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name6-methylidene-4,7-dihydro-1H-isoquinoline
SMILESC=C1C=C2CC=NCC2=CC1
InChIInChI=1S/C10H11N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h3,5-6H,1-2,4,7H2
InChIKeyLIQRVPRFEJKNKY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroquinoline
CID 94356
1,5-Dihydroisoquinoline
CID 91129745
4-(2,3-Dihydropyridin-4-yl)-2,3-dihydropyridine
CID 89219434
3,5,6,8a-Tetrahydroquinoline
CID 90716025
3,5,8,8a-Tetrahydroquinoline
CID 54491121
4-(2,5-Dihydropyridin-4-yl)-2,5-dihydropyridine
CID 56975599
2-Azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
CID 57084560
8,8a-Dihydroquinoline
CID 57104900
3-Azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene
CID 57240057
3,7,8,8a-Tetrahydroquinoline
CID 57279747
6,7,8,8a-Tetrahydroquinoline
CID 57281165
4,8-Dihydroisoquinoline
CID 57298362

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4,7-dihydro-1H-isoquinoline?
The IUPAC name of 6-methylidene-4,7-dihydro-1H-isoquinoline (CID 57125600) is 6-methylidene-4,7-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methylidene-4,7-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methylidene-4,7-dihydro-1H-isoquinoline is C=C1C=C2CC=NCC2=CC1.
What is the InChIKey of 6-methylidene-4,7-dihydro-1H-isoquinoline?
The InChIKey is LIQRVPRFEJKNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h3,5-6H,1-2,4,7H2.
What are the key properties of 6-methylidene-4,7-dihydro-1H-isoquinoline?
6-methylidene-4,7-dihydro-1H-isoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4,7-dihydro-1H-isoquinoline is sourced from PubChem (CID 57125600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).