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

C16H19N — CID 94161380

IUPAC2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
SMILESCc1ccc(C)n1[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H19N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3/t16-/m1/s1
InChIKeyJWVDEHZLVFGISK-MRXNPFEDSA-N
MW225.34 g/mol
LogP4.03
Rot. Bonds1

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

2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole (PubChem CID 94161380) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
PubChem CID94161380
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
SMILESCc1ccc(C)n1[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H19N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3/t16-/m1/s1
InChIKeyJWVDEHZLVFGISK-MRXNPFEDSA-N
XLogP4.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole?
The IUPAC name of 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole (CID 94161380) is 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole?
The canonical SMILES for 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole is Cc1ccc(C)n1[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole?
The InChIKey is JWVDEHZLVFGISK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3/t16-/m1/s1.
What are the key properties of 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole?
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole has a molecular weight of 225.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole is sourced from PubChem (CID 94161380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).