(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C17H19N — CID 53391718

IUPAC(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESc1ccc2cc([C@@]34CCC[C@@H]3CNC4)ccc2c1
InChIInChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m1/s1
InChIKeyKZCROLYCBADBTI-SJORKVTESA-N
MW237.35 g/mol
LogP3.48
Rot. Bonds1

About (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 53391718) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID53391718
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESc1ccc2cc([C@@]34CCC[C@@H]3CNC4)ccc2c1
InChIInChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m1/s1
InChIKeyKZCROLYCBADBTI-SJORKVTESA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 53391718) is (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is c1ccc2cc([C@@]34CCC[C@@H]3CNC4)ccc2c1.
What is the InChIKey of (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is KZCROLYCBADBTI-SJORKVTESA-N. The full InChI is InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m1/s1.
What are the key properties of (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 237.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 53391718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).