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

C8H16ClN3O2 — CID 126477655

IUPAC1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride
SMILESCNC(=O)NCCN1CCCC1=O.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-9-8(13)10-4-6-11-5-2-3-7(11)12;/h2-6H2,1H3,(H2,9,10,13);1H
InChIKeyWFLARBYGXHNTHU-UHFFFAOYSA-N
MW221.69 g/mol
LogP-0.04
Rot. Bonds3

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

1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride (PubChem CID 126477655) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride
PubChem CID126477655
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC Name1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride
SMILESCNC(=O)NCCN1CCCC1=O.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-9-8(13)10-4-6-11-5-2-3-7(11)12;/h2-6H2,1H3,(H2,9,10,13);1H
InChIKeyWFLARBYGXHNTHU-UHFFFAOYSA-N
XLogP-0.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.04
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;hydrochloride?
The IUPAC name of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride (CID 126477655) is 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride.
What is the SMILES notation for 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride?
The canonical SMILES for 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride is CNC(=O)NCCN1CCCC1=O.Cl.
What is the InChIKey of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride?
The InChIKey is WFLARBYGXHNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-9-8(13)10-4-6-11-5-2-3-7(11)12;/h2-6H2,1H3,(H2,9,10,13);1H.
What are the key properties of 1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride?
1-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.04, 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;hydrochloride is sourced from PubChem (CID 126477655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).