1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea

C13H21N3O — CID 110747679

IUPAC1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)NC1CCCCC1
InChIInChI=1S/C13H21N3O/c17-13(15-12-6-2-1-3-7-12)14-8-11-16-9-4-5-10-16/h4-5,9-10,12H,1-3,6-8,11H2,(H2,14,15,17)
InChIKeySVYUZEIRJSZSFX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.12
Rot. Bonds4

About 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea

1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 110747679) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
PubChem CID110747679
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)NC1CCCCC1
InChIInChI=1S/C13H21N3O/c17-13(15-12-6-2-1-3-7-12)14-8-11-16-9-4-5-10-16/h4-5,9-10,12H,1-3,6-8,11H2,(H2,14,15,17)
InChIKeySVYUZEIRJSZSFX-UHFFFAOYSA-N
XLogP2.12
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
CID 97222464
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
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1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
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CID 47163906
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
CID 106391099
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998094
1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747875
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea (CID 110747679) is 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea is O=C(NCCn1cccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is SVYUZEIRJSZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13(15-12-6-2-1-3-7-12)14-8-11-16-9-4-5-10-16/h4-5,9-10,12H,1-3,6-8,11H2,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea?
1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 235.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 110747679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).