3-(3,5-dioxopyrrolidin-2-yl)propanamide

C7H10N2O3 — CID 122595656

IUPAC3-(3,5-dioxopyrrolidin-2-yl)propanamide
SMILESNC(=O)CCC1NC(=O)CC1=O
InChIInChI=1S/C7H10N2O3/c8-6(11)2-1-4-5(10)3-7(12)9-4/h4H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyILTFIQQXAQFJID-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.29
Rot. Bonds3

About 3-(3,5-dioxopyrrolidin-2-yl)propanamide

3-(3,5-dioxopyrrolidin-2-yl)propanamide (PubChem CID 122595656) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(3,5-dioxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dioxopyrrolidin-2-yl)propanamide
PubChem CID122595656
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(3,5-dioxopyrrolidin-2-yl)propanamide
SMILESNC(=O)CCC1NC(=O)CC1=O
InChIInChI=1S/C7H10N2O3/c8-6(11)2-1-4-5(10)3-7(12)9-4/h4H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyILTFIQQXAQFJID-UHFFFAOYSA-N
XLogP-1.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-oxoaziridin-2-yl)propanamide
CID 129164942
3-chloropropyl 3-[(2S)-3,5-dioxopyrrolidin-2-yl]propanoate
CID 158385505
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
3-[(2S,5S)-5-(2-amino-2-oxoethyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 102304528
3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide
CID 44593841
3-cyclopropylpropanamide
CID 53414720
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 57400085
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanamide
CID 171116529
(3,5-dioxopyrrolidin-2-yl)urea
CID 58143027
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
5-[3-(trifluoromethyl)pentyl]pyrrolidine-2,4-dione
CID 91362054

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxopyrrolidin-2-yl)propanamide?
The IUPAC name of 3-(3,5-dioxopyrrolidin-2-yl)propanamide (CID 122595656) is 3-(3,5-dioxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for 3-(3,5-dioxopyrrolidin-2-yl)propanamide?
The canonical SMILES for 3-(3,5-dioxopyrrolidin-2-yl)propanamide is NC(=O)CCC1NC(=O)CC1=O.
What is the InChIKey of 3-(3,5-dioxopyrrolidin-2-yl)propanamide?
The InChIKey is ILTFIQQXAQFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-6(11)2-1-4-5(10)3-7(12)9-4/h4H,1-3H2,(H2,8,11)(H,9,12).
What are the key properties of 3-(3,5-dioxopyrrolidin-2-yl)propanamide?
3-(3,5-dioxopyrrolidin-2-yl)propanamide has a molecular weight of 170.17 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 122595656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).