1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione

C10H14N2O2 — CID 43636535

IUPAC1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
SMILESC#CCNC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H14N2O2/c1-4-5-11-8-6-9(13)12(7(2)3)10(8)14/h1,7-8,11H,5-6H2,2-3H3
InChIKeyAZVSEOGTLALQJN-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.25
Rot. Bonds3

About 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione (PubChem CID 43636535) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
PubChem CID43636535
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
SMILESC#CCNC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H14N2O2/c1-4-5-11-8-6-9(13)12(7(2)3)10(8)14/h1,7-8,11H,5-6H2,2-3H3
InChIKeyAZVSEOGTLALQJN-UHFFFAOYSA-N
XLogP-0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62990591
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 63822409
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62976653
3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60779639
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 112697490
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 61473329
3-(1,4-dioxan-2-ylmethylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 54907550
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 113252158
3-[(5-bromothiophen-2-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 54900259
(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 97290155
3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 61469351

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione (CID 43636535) is 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione is C#CCNC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
The InChIKey is AZVSEOGTLALQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-5-11-8-6-9(13)12(7(2)3)10(8)14/h1,7-8,11H,5-6H2,2-3H3.
What are the key properties of 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).