2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline

C12H16N2 — CID 62785737

IUPAC2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(C1CNC1)C2
InChIInChI=1S/C12H16N2/c1-2-4-11-9-14(12-7-13-8-12)6-5-10(11)3-1/h1-4,12-13H,5-9H2
InChIKeyVLICTZOMWSSISN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.02
Rot. Bonds1

About 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline

2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 62785737) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID62785737
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(C1CNC1)C2
InChIInChI=1S/C12H16N2/c1-2-4-11-9-14(12-7-13-8-12)6-5-10(11)3-1/h1-4,12-13H,5-9H2
InChIKeyVLICTZOMWSSISN-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline (CID 62785737) is 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(C1CNC1)C2.
What is the InChIKey of 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is VLICTZOMWSSISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-11-9-14(12-7-13-8-12)6-5-10(11)3-1/h1-4,12-13H,5-9H2.
What are the key properties of 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 188.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 62785737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).