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

C10H15NO3 — CID 177094546

IUPAC1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
SMILESCC(C)O[C@@H](C)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)14-8(3)6-11-9(12)4-5-10(11)13/h4-5,7-8H,6H2,1-3H3/t8-/m0/s1
InChIKeyQJHCDUDHRMPZIB-QMMMGPOBSA-N
MW197.23 g/mol
LogP0.72
Rot. Bonds4

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

1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione (PubChem CID 177094546) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
PubChem CID177094546
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
SMILESCC(C)O[C@@H](C)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)14-8(3)6-11-9(12)4-5-10(11)13/h4-5,7-8H,6H2,1-3H3/t8-/m0/s1
InChIKeyQJHCDUDHRMPZIB-QMMMGPOBSA-N
XLogP0.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-propan-2-yloxypropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione (CID 177094546) is 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione is CC(C)O[C@@H](C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione?
The InChIKey is QJHCDUDHRMPZIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)14-8(3)6-11-9(12)4-5-10(11)13/h4-5,7-8H,6H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione?
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione is sourced from PubChem (CID 177094546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).