1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C15H27N3O2 — CID 78857720

IUPAC1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)NCCC1CCCC1
InChIInChI=1S/C15H27N3O2/c19-14-7-3-11-18(14)12-4-9-16-15(20)17-10-8-13-5-1-2-6-13/h13H,1-12H2,(H2,16,17,20)
InChIKeyMISLQHWWPUACSR-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.88
Rot. Bonds7

About 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 78857720) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID78857720
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)NCCC1CCCC1
InChIInChI=1S/C15H27N3O2/c19-14-7-3-11-18(14)12-4-9-16-15(20)17-10-8-13-5-1-2-6-13/h13H,1-12H2,(H2,16,17,20)
InChIKeyMISLQHWWPUACSR-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 78857720) is 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)NCCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is MISLQHWWPUACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-14-7-3-11-18(14)12-4-9-16-15(20)17-10-8-13-5-1-2-6-13/h13H,1-12H2,(H2,16,17,20).
What are the key properties of 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 281.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 78857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).