3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide

C10H10N2O3 — CID 10149082

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H10N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h1,3-4H,5-7H2,(H,11,13)
InChIKeySXGJBOJOJYTRKB-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.95
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide

3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide (PubChem CID 10149082) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide
PubChem CID10149082
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H10N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h1,3-4H,5-7H2,(H,11,13)
InChIKeySXGJBOJOJYTRKB-UHFFFAOYSA-N
XLogP-0.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.95
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

1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 57383512
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 43553619
N-(2-Aminopropyl)maleimide
CID 22377079
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]carbamoyl fluoride
CID 144854244
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
3-(2,5-Dioxopyrrol-1-yl)propyl-dimethylazanium chloride
CID 20286399
N-ethylethanamine;1-propylpyrrole-2,5-dione
CID 20531811
1-[3-(Methylamino)propyl]pyrrole-2,5-dione
CID 20666020
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 21135495
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide (CID 10149082) is 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide is C#CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide?
The InChIKey is SXGJBOJOJYTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h1,3-4H,5-7H2,(H,11,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide has a molecular weight of 206.20 g/mol, XLogP of -0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 10149082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).