1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea

C8H15N3O2 — CID 655916

IUPAC1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCNC(=O)NCCN1CCCC1=O
InChIInChI=1S/C8H15N3O2/c1-9-8(13)10-4-6-11-5-2-3-7(11)12/h2-6H2,1H3,(H2,9,10,13)
InChIKeyRHLDHAUSBAYWCB-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.46
Rot. Bonds3

About 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea

1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (PubChem CID 655916) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
PubChem CID655916
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCNC(=O)NCCN1CCCC1=O
InChIInChI=1S/C8H15N3O2/c1-9-8(13)10-4-6-11-5-2-3-7(11)12/h2-6H2,1H3,(H2,9,10,13)
InChIKeyRHLDHAUSBAYWCB-UHFFFAOYSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (CID 655916) is 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is CNC(=O)NCCN1CCCC1=O.
What is the InChIKey of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The InChIKey is RHLDHAUSBAYWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-8(13)10-4-6-11-5-2-3-7(11)12/h2-6H2,1H3,(H2,9,10,13).
What are the key properties of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea has a molecular weight of 185.23 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is sourced from PubChem (CID 655916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).