(2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole

C13H23N — CID 121385149

IUPAC(2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole
SMILESCCN1C2=C([C@@H](C)[C@@H](C)C2)[C@H](C)[C@@H]1C
InChIInChI=1S/C13H23N/c1-6-14-11(5)10(4)13-9(3)8(2)7-12(13)14/h8-11H,6-7H2,1-5H3/t8-,9-,10+,11-/m0/s1
InChIKeyOPFNJNMBWORNME-MMWGEVLESA-N
MW193.33 g/mol
LogP3.28
Rot. Bonds1

About (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole

(2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole (PubChem CID 121385149) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name(2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole
PubChem CID121385149
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole
SMILESCCN1C2=C([C@@H](C)[C@@H](C)C2)[C@H](C)[C@@H]1C
InChIInChI=1S/C13H23N/c1-6-14-11(5)10(4)13-9(3)8(2)7-12(13)14/h8-11H,6-7H2,1-5H3/t8-,9-,10+,11-/m0/s1
InChIKeyOPFNJNMBWORNME-MMWGEVLESA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole (CID 121385149) is (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole is CCN1C2=C([C@@H](C)[C@@H](C)C2)[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is OPFNJNMBWORNME-MMWGEVLESA-N. The full InChI is InChI=1S/C13H23N/c1-6-14-11(5)10(4)13-9(3)8(2)7-12(13)14/h8-11H,6-7H2,1-5H3/t8-,9-,10+,11-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole?
(2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-1-ethyl-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 121385149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).