1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione

C25H43NO2 — CID 66880093

IUPAC1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)[C@@H]1[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)C(N2C(=O)C=CC2=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C25H43NO2/c1-22(2,3)17-18(23(4,5)6)20(25(10,11)12)21(19(17)24(7,8)9)26-15(27)13-14-16(26)28/h13-14,17-21H,1-12H3/t17-,18-,19-,20-/m1/s1
InChIKeyRCVKYZLYYGXOAQ-UAFMIMERSA-N
MW389.62 g/mol
LogP5.94
Rot. Bonds1

About 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione

1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66880093) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione
PubChem CID66880093
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)[C@@H]1[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)C(N2C(=O)C=CC2=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C25H43NO2/c1-22(2,3)17-18(23(4,5)6)20(25(10,11)12)21(19(17)24(7,8)9)26-15(27)13-14-16(26)28/h13-14,17-21H,1-12H3/t17-,18-,19-,20-/m1/s1
InChIKeyRCVKYZLYYGXOAQ-UAFMIMERSA-N
XLogP5.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione (CID 66880093) is 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione is CC(C)(C)[C@@H]1[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)C(N2C(=O)C=CC2=O)[C@@H]1C(C)(C)C.
What is the InChIKey of 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is RCVKYZLYYGXOAQ-UAFMIMERSA-N. The full InChI is InChI=1S/C25H43NO2/c1-22(2,3)17-18(23(4,5)6)20(25(10,11)12)21(19(17)24(7,8)9)26-15(27)13-14-16(26)28/h13-14,17-21H,1-12H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione?
1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione has a molecular weight of 389.62 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4R,5S)-2,3,4,5-tetratert-butylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).