(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione

C11H14N2O2 — CID 145077824

IUPAC(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1\C(=C)C(=O)N(C[C@H](C)N)C1=O
InChIInChI=1S/C11H14N2O2/c1-4-5-9-8(3)10(14)13(11(9)15)6-7(2)12/h4-5,7H,1,3,6,12H2,2H3/b9-5+/t7-/m0/s1
InChIKeyKUBCGVOMNCZOOD-JGESFRBXSA-N
MW206.24 g/mol
LogP0.37
Rot. Bonds3

About (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione

(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione (PubChem CID 145077824) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
PubChem CID145077824
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1\C(=C)C(=O)N(C[C@H](C)N)C1=O
InChIInChI=1S/C11H14N2O2/c1-4-5-9-8(3)10(14)13(11(9)15)6-7(2)12/h4-5,7H,1,3,6,12H2,2H3/b9-5+/t7-/m0/s1
InChIKeyKUBCGVOMNCZOOD-JGESFRBXSA-N
XLogP0.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The IUPAC name of (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione (CID 145077824) is (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The canonical SMILES for (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione is C=C/C=C1\C(=C)C(=O)N(C[C@H](C)N)C1=O.
What is the InChIKey of (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The InChIKey is KUBCGVOMNCZOOD-JGESFRBXSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-5-9-8(3)10(14)13(11(9)15)6-7(2)12/h4-5,7H,1,3,6,12H2,2H3/b9-5+/t7-/m0/s1.
What are the key properties of (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione has a molecular weight of 206.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 145077824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).