1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea

C14H23N3O — CID 110747697

IUPAC1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
SMILESCc1ccc(C)n1CCNC(=O)NC1CCCC1
InChIInChI=1S/C14H23N3O/c1-11-7-8-12(2)17(11)10-9-15-14(18)16-13-5-3-4-6-13/h7-8,13H,3-6,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyFDVCKALMJOXLOA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea

1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea (PubChem CID 110747697) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
PubChem CID110747697
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
SMILESCc1ccc(C)n1CCNC(=O)NC1CCCC1
InChIInChI=1S/C14H23N3O/c1-11-7-8-12(2)17(11)10-9-15-14(18)16-13-5-3-4-6-13/h7-8,13H,3-6,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyFDVCKALMJOXLOA-UHFFFAOYSA-N
XLogP2.35
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
CID 50742509
1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
CID 110747679
1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea
CID 110203840
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-cyclopentylurea
CID 113285954
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea (CID 110747697) is 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea is Cc1ccc(C)n1CCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea?
The InChIKey is FDVCKALMJOXLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-8-12(2)17(11)10-9-15-14(18)16-13-5-3-4-6-13/h7-8,13H,3-6,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea?
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea has a molecular weight of 249.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea is sourced from PubChem (CID 110747697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).