1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione

C9H11NO2 — CID 51703961

IUPAC1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
SMILESC[C@H](C1CC1)N1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO2/c1-6(7-2-3-7)10-8(11)4-5-9(10)12/h4-7H,2-3H2,1H3/t6-/m1/s1
InChIKeyQOYHKRNBTUYMMM-ZCFIWIBFSA-N
MW165.19 g/mol
LogP0.71
Rot. Bonds2

About 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione

1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione (PubChem CID 51703961) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
PubChem CID51703961
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
SMILESC[C@H](C1CC1)N1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO2/c1-6(7-2-3-7)10-8(11)4-5-9(10)12/h4-7H,2-3H2,1H3/t6-/m1/s1
InChIKeyQOYHKRNBTUYMMM-ZCFIWIBFSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Isobutyl-1h-pyrrole-2,5-dione
CID 244598
1-(3-methylbutyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2389943
1-(Butan-2-yl)-1H-pyrrole-2,5-dione
CID 19388273
1-Hexan-2-ylpyrrole-2,5-dione
CID 12858662
1-(4-Methylpentyl)pyrrole-2,5-dione
CID 23529566
1-[(2S)-pentan-2-yl]pyrrole-2,5-dione
CID 28502522
1-[(2S)-butan-2-yl]pyrrole-2,5-dione
CID 28502562
1-Pentan-3-ylpyrrole-2,5-dione
CID 28502563
1-(cyclopropylmethyl)-1H-pyrrole-2,5-dione
CID 28502565
1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione
CID 29012791
1-(3-Methylbutan-2-yl)pyrrole-2,5-dione
CID 43131423
1-Pentan-2-ylpyrrole-2,5-dione
CID 43198813

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione (CID 51703961) is 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione is C[C@H](C1CC1)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione?
The InChIKey is QOYHKRNBTUYMMM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(7-2-3-7)10-8(11)4-5-9(10)12/h4-7H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione?
1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione is sourced from PubChem (CID 51703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).