7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline

C13H18N2 — CID 79679076

IUPAC7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1N1CCCC1)CNCC2
InChIInChI=1S/C13H18N2/c1-2-8-15(7-1)13-4-3-11-5-6-14-10-12(11)9-13/h3-4,9,14H,1-2,5-8,10H2
InChIKeyWKLZNEXHHBPQLT-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.93
Rot. Bonds1

About 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline

7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 79679076) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID79679076
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1N1CCCC1)CNCC2
InChIInChI=1S/C13H18N2/c1-2-8-15(7-1)13-4-3-11-5-6-14-10-12(11)9-13/h3-4,9,14H,1-2,5-8,10H2
InChIKeyWKLZNEXHHBPQLT-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 79679076) is 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline is c1cc2c(cc1N1CCCC1)CNCC2.
What is the InChIKey of 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WKLZNEXHHBPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-8-15(7-1)13-4-3-11-5-6-14-10-12(11)9-13/h3-4,9,14H,1-2,5-8,10H2.
What are the key properties of 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 202.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 79679076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).