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

C14H25N3O2 — CID 3226716

IUPAC1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O2/c18-13-8-4-10-17(13)11-5-9-15-14(19)16-12-6-2-1-3-7-12/h12H,1-11H2,(H2,15,16,19)
InChIKeyNIJCDJYHAXPXRM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.63
Rot. Bonds5

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

1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 3226716) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID3226716
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O2/c18-13-8-4-10-17(13)11-5-9-15-14(19)16-12-6-2-1-3-7-12/h12H,1-11H2,(H2,15,16,19)
InChIKeyNIJCDJYHAXPXRM-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.63
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-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 3226716) is 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is NIJCDJYHAXPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-13-8-4-10-17(13)11-5-9-15-14(19)16-12-6-2-1-3-7-12/h12H,1-11H2,(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 267.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 3226716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).