5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole

C15H17N — CID 58329912

IUPAC5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole
SMILESC1=NC(C[C@@H]2CCc3ccccc3C2)=CC1
InChIInChI=1S/C15H17N/c1-2-5-14-10-12(7-8-13(14)4-1)11-15-6-3-9-16-15/h1-2,4-6,9,12H,3,7-8,10-11H2/t12-/m1/s1
InChIKeyAPLNUFMXPTXAPD-GFCCVEGCSA-N
MW211.31 g/mol
LogP3.54
Rot. Bonds2

About 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole

5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole (PubChem CID 58329912) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole.

Molecular Properties

Compound Name5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole
PubChem CID58329912
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole
SMILESC1=NC(C[C@@H]2CCc3ccccc3C2)=CC1
InChIInChI=1S/C15H17N/c1-2-5-14-10-12(7-8-13(14)4-1)11-15-6-3-9-16-15/h1-2,4-6,9,12H,3,7-8,10-11H2/t12-/m1/s1
InChIKeyAPLNUFMXPTXAPD-GFCCVEGCSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole?
The IUPAC name of 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole (CID 58329912) is 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole.
What is the SMILES notation for 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole?
The canonical SMILES for 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole is C1=NC(C[C@@H]2CCc3ccccc3C2)=CC1.
What is the InChIKey of 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole?
The InChIKey is APLNUFMXPTXAPD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N/c1-2-5-14-10-12(7-8-13(14)4-1)11-15-6-3-9-16-15/h1-2,4-6,9,12H,3,7-8,10-11H2/t12-/m1/s1.
What are the key properties of 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole?
5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole has a molecular weight of 211.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole is sourced from PubChem (CID 58329912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).