3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

C11H15NO2 — CID 155229594

IUPAC3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC/C=C\C1=C(C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H15NO2/c1-5-6-9-8(4)10(13)12(7(2)3)11(9)14/h5-7H,1-4H3/b6-5-
InChIKeyYIDJYVBRYGKGNU-WAYWQWQTSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds2

About 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (PubChem CID 155229594) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
PubChem CID155229594
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC/C=C\C1=C(C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H15NO2/c1-5-6-9-8(4)10(13)12(7(2)3)11(9)14/h5-7H,1-4H3/b6-5-
InChIKeyYIDJYVBRYGKGNU-WAYWQWQTSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (CID 155229594) is 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is C/C=C\C1=C(C)C(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The InChIKey is YIDJYVBRYGKGNU-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H15NO2/c1-5-6-9-8(4)10(13)12(7(2)3)11(9)14/h5-7H,1-4H3/b6-5-.
What are the key properties of 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 155229594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).