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

C10H16N4O3 — CID 142400579

IUPAC1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
SMILESCNCCNC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N4O3/c1-11-4-5-12-10(17)13-6-7-14-8(15)2-3-9(14)16/h2-3,11H,4-7H2,1H3,(H2,12,13,17)
InChIKeyOQNOPPUJQCTOHK-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.57
Rot. Bonds6

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

1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea (PubChem CID 142400579) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
PubChem CID142400579
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
SMILESCNCCNC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N4O3/c1-11-4-5-12-10(17)13-6-7-14-8(15)2-3-9(14)16/h2-3,11H,4-7H2,1H3,(H2,12,13,17)
InChIKeyOQNOPPUJQCTOHK-UHFFFAOYSA-N
XLogP-1.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
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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Related Compounds

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259
1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
CID 158008507
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
CID 123560915
CID 123560915
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
CID 145076683
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 90457244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea?
The IUPAC name of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea (CID 142400579) is 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea?
The canonical SMILES for 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea is CNCCNC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea?
The InChIKey is OQNOPPUJQCTOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-11-4-5-12-10(17)13-6-7-14-8(15)2-3-9(14)16/h2-3,11H,4-7H2,1H3,(H2,12,13,17).
What are the key properties of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea?
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea has a molecular weight of 240.26 g/mol, XLogP of -1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea is sourced from PubChem (CID 142400579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).