1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione

C14H21NO2 — CID 66880157

IUPAC1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
SMILESCCCCC[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO2/c1-2-3-4-6-11-7-5-8-12(11)15-13(16)9-10-14(15)17/h9-12H,2-8H2,1H3/t11-,12-/m0/s1
InChIKeyZLBJCNOJXOUIKN-RYUDHWBXSA-N
MW235.33 g/mol
LogP2.66
Rot. Bonds5

About 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione

1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66880157) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
PubChem CID66880157
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
SMILESCCCCC[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO2/c1-2-3-4-6-11-7-5-8-12(11)15-13(16)9-10-14(15)17/h9-12H,2-8H2,1H3/t11-,12-/m0/s1
InChIKeyZLBJCNOJXOUIKN-RYUDHWBXSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione (CID 66880157) is 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione is CCCCC[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is ZLBJCNOJXOUIKN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-6-11-7-5-8-12(11)15-13(16)9-10-14(15)17/h9-12H,2-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione has a molecular weight of 235.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).