1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide

C10H16N2O4 — CID 155125828

IUPAC1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.O=C1CCC(=O)N1O
InChIInChI=1S/C6H11NO.C4H5NO3/c1-4-6(8)7-5(2)3;6-3-1-2-4(7)5(3)8/h4-5H,1H2,2-3H3,(H,7,8);8H,1-2H2
InChIKeyCCGOLZFJHKDIKD-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.22
Rot. Bonds2

About 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide

1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide (PubChem CID 155125828) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
PubChem CID155125828
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.O=C1CCC(=O)N1O
InChIInChI=1S/C6H11NO.C4H5NO3/c1-4-6(8)7-5(2)3;6-3-1-2-4(7)5(3)8/h4-5H,1H2,2-3H3,(H,7,8);8H,1-2H2
InChIKeyCCGOLZFJHKDIKD-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(Methacryloyloxy)succinimide N-isopropylmethacrylamide
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2,5-Dioxopyrrolidin-1-yl N-prop-2-enoylalaninate
CID 88585261
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide;bis(prop-2-enoic acid)
CID 173557249
N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide
CID 174847714
N-propylprop-2-enamide;pyrrolidin-2-one
CID 174994372
(2,5-dioxopyrrolidin-1-yl) (Z)-4-(butylamino)-4-oxobut-2-enoate
CID 21765589
(2,5-Dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate
CID 101133077

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide (CID 155125828) is 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide?
The InChIKey is CCGOLZFJHKDIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H5NO3/c1-4-6(8)7-5(2)3;6-3-1-2-4(7)5(3)8/h4-5H,1H2,2-3H3,(H,7,8);8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide?
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 155125828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).