2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline

C17H20N2 — CID 159567822

IUPAC2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C8H9N/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8/h1-4,10H,5-7H2;1-4,9H,5-6H2
InChIKeyMHKUAGYWOAVBPV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.99
Rot. Bonds

About 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline

2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline (PubChem CID 159567822) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
PubChem CID159567822
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C8H9N/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8/h1-4,10H,5-7H2;1-4,9H,5-6H2
InChIKeyMHKUAGYWOAVBPV-UHFFFAOYSA-N
XLogP2.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indole;hydrobromide
CID 18680303
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
2,3-dihydro-1H-indole;pyridine
CID 160958359
2,3-dihydro-1H-indole;ethanamine
CID 23296774
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
azepane;1,2,3,4-tetrahydroisoquinoline
CID 67675496
1H-azepine;2,3-dihydro-1H-indole
CID 159350025
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
CID 175785291
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline (CID 159567822) is 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.
What is the InChIKey of 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MHKUAGYWOAVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C8H9N/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8/h1-4,10H,5-7H2;1-4,9H,5-6H2.
What are the key properties of 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline?
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline has a molecular weight of 252.36 g/mol, XLogP of 2.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 159567822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).