(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide

C10H14N2O3 — CID 17034869

IUPAC(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O3/c1-3-6-11-10(15)7(2)12-8(13)4-5-9(12)14/h3,7H,1,4-6H2,2H3,(H,11,15)/t7-/m0/s1
InChIKeyFGYVZNNQNDMMEW-ZETCQYMHSA-N
MW210.23 g/mol
LogP-0.17
Rot. Bonds4

About (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide

(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 17034869) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID17034869
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O3/c1-3-6-11-10(15)7(2)12-8(13)4-5-9(12)14/h3,7H,1,4-6H2,2H3,(H,11,15)/t7-/m0/s1
InChIKeyFGYVZNNQNDMMEW-ZETCQYMHSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide (CID 17034869) is (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)N1C(=O)CCC1=O.
What is the InChIKey of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is FGYVZNNQNDMMEW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-6-11-10(15)7(2)12-8(13)4-5-9(12)14/h3,7H,1,4-6H2,2H3,(H,11,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide?
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 210.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 17034869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).