1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione

C15H23NO4 — CID 18439129

IUPAC1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione
SMILESCCCO[C@@H]1[C@@H](OCCC)CC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO4/c1-3-9-19-12-6-5-11(15(12)20-10-4-2)16-13(17)7-8-14(16)18/h7-8,11-12,15H,3-6,9-10H2,1-2H3/t11-,12-,15-/m0/s1
InChIKeyJVXKJYZVHAOSJN-HUBLWGQQSA-N
MW281.35 g/mol
LogP1.66
Rot. Bonds7

About 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione

1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione (PubChem CID 18439129) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione
PubChem CID18439129
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione
SMILESCCCO[C@@H]1[C@@H](OCCC)CC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO4/c1-3-9-19-12-6-5-11(15(12)20-10-4-2)16-13(17)7-8-14(16)18/h7-8,11-12,15H,3-6,9-10H2,1-2H3/t11-,12-,15-/m0/s1
InChIKeyJVXKJYZVHAOSJN-HUBLWGQQSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione (CID 18439129) is 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione is CCCO[C@@H]1[C@@H](OCCC)CC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione?
The InChIKey is JVXKJYZVHAOSJN-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-9-19-12-6-5-11(15(12)20-10-4-2)16-13(17)7-8-14(16)18/h7-8,11-12,15H,3-6,9-10H2,1-2H3/t11-,12-,15-/m0/s1.
What are the key properties of 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione has a molecular weight of 281.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S)-2,3-dipropoxycyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 18439129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).