2-(2-oxopyrrolidin-1-yl)ethylurea

C7H13N3O2 — CID 21249133

IUPAC2-(2-oxopyrrolidin-1-yl)ethylurea
SMILESNC(=O)NCCN1CCCC1=O
InChIInChI=1S/C7H13N3O2/c8-7(12)9-3-5-10-4-1-2-6(10)11/h1-5H2,(H3,8,9,12)
InChIKeyKPCJSAMSOHIDNW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.72
Rot. Bonds3

About 2-(2-oxopyrrolidin-1-yl)ethylurea

2-(2-oxopyrrolidin-1-yl)ethylurea (PubChem CID 21249133) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethylurea.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethylurea
PubChem CID21249133
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethylurea
SMILESNC(=O)NCCN1CCCC1=O
InChIInChI=1S/C7H13N3O2/c8-7(12)9-3-5-10-4-1-2-6(10)11/h1-5H2,(H3,8,9,12)
InChIKeyKPCJSAMSOHIDNW-UHFFFAOYSA-N
XLogP-0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethylurea?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethylurea (CID 21249133) is 2-(2-oxopyrrolidin-1-yl)ethylurea.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethylurea?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethylurea is NC(=O)NCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethylurea?
The InChIKey is KPCJSAMSOHIDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-7(12)9-3-5-10-4-1-2-6(10)11/h1-5H2,(H3,8,9,12).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethylurea?
2-(2-oxopyrrolidin-1-yl)ethylurea has a molecular weight of 171.20 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethylurea is sourced from PubChem (CID 21249133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).