1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione

C10H13NO2 — CID 90778688

IUPAC1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=CC=C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H13NO2/c1-4-5-8-6-9(12)11(7(2)3)10(8)13/h4-5,7H,1,6H2,2-3H3
InChIKeyALQZHRKLOZICIJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds2

About 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione

1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione (PubChem CID 90778688) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione
PubChem CID90778688
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=CC=C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H13NO2/c1-4-5-8-6-9(12)11(7(2)3)10(8)13/h4-5,7H,1,6H2,2-3H3
InChIKeyALQZHRKLOZICIJ-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Variotin B
CID 170990270
1-(Cyclohepta-2,4,6-trien-1-yl)pyrrolidine-2,5-dione
CID 286085
N-allylitaconimide
CID 89137080
(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
CID 155645817
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one
CID 13011424
N-methylphthalimide rhodamine
CID 129888103
CID 134862772
CID 134862772
(2E,4E)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-one
CID 134979174
(3E)-1-ethyl-3-ethylidenepyrrolidine-2,5-dione
CID 12122746
1-Ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione
CID 14943045

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione (CID 90778688) is 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione is C=CC=C1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione?
The InChIKey is ALQZHRKLOZICIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-5-8-6-9(12)11(7(2)3)10(8)13/h4-5,7H,1,6H2,2-3H3.
What are the key properties of 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione?
1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione has a molecular weight of 179.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 90778688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).