3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide

C10H15N3O3 — CID 21135495

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O3/c1-11-5-6-12-8(14)4-7-13-9(15)2-3-10(13)16/h2-3,11H,4-7H2,1H3,(H,12,14)
InChIKeyBUSVSUNWKDHMRC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.36
Rot. Bonds6

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 21135495) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID21135495
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O3/c1-11-5-6-12-8(14)4-7-13-9(15)2-3-10(13)16/h2-3,11H,4-7H2,1H3,(H,12,14)
InChIKeyBUSVSUNWKDHMRC-UHFFFAOYSA-N
XLogP-1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide (CID 21135495) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is BUSVSUNWKDHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-11-5-6-12-8(14)4-7-13-9(15)2-3-10(13)16/h2-3,11H,4-7H2,1H3,(H,12,14).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 225.25 g/mol, XLogP of -1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 21135495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).