1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione

C18H29NO5 — CID 18439143

IUPAC1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione
SMILESCCCO[C@@H]1[C@@H](OCCC)[C@@H](N2C(=O)C=CC2=O)C[C@@H]1OCCC
InChIInChI=1S/C18H29NO5/c1-4-9-22-14-12-13(19-15(20)7-8-16(19)21)17(23-10-5-2)18(14)24-11-6-3/h7-8,13-14,17-18H,4-6,9-12H2,1-3H3/t13-,14-,17-,18-/m0/s1
InChIKeyGBHNAHWUYFSEBQ-USJZOSNVSA-N
MW339.43 g/mol
LogP2.07
Rot. Bonds10

About 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione

1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione (PubChem CID 18439143) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione
PubChem CID18439143
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione
SMILESCCCO[C@@H]1[C@@H](OCCC)[C@@H](N2C(=O)C=CC2=O)C[C@@H]1OCCC
InChIInChI=1S/C18H29NO5/c1-4-9-22-14-12-13(19-15(20)7-8-16(19)21)17(23-10-5-2)18(14)24-11-6-3/h7-8,13-14,17-18H,4-6,9-12H2,1-3H3/t13-,14-,17-,18-/m0/s1
InChIKeyGBHNAHWUYFSEBQ-USJZOSNVSA-N
XLogP2.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione (CID 18439143) is 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione is CCCO[C@@H]1[C@@H](OCCC)[C@@H](N2C(=O)C=CC2=O)C[C@@H]1OCCC.
What is the InChIKey of 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione?
The InChIKey is GBHNAHWUYFSEBQ-USJZOSNVSA-N. The full InChI is InChI=1S/C18H29NO5/c1-4-9-22-14-12-13(19-15(20)7-8-16(19)21)17(23-10-5-2)18(14)24-11-6-3/h7-8,13-14,17-18H,4-6,9-12H2,1-3H3/t13-,14-,17-,18-/m0/s1.
What are the key properties of 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione has a molecular weight of 339.43 g/mol, XLogP of 2.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S,4S)-2,3,4-tripropoxycyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 18439143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).