1-butyl-3-cyclopentylurea

C10H20N2O — CID 4150224

IUPAC1-butyl-3-cyclopentylurea
SMILESCCCCNC(=O)NC1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-3-8-11-10(13)12-9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyARCVFKWJDGJEKK-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds4

About 1-butyl-3-cyclopentylurea

1-butyl-3-cyclopentylurea (PubChem CID 4150224) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-butyl-3-cyclopentylurea.

Molecular Properties

Compound Name1-butyl-3-cyclopentylurea
PubChem CID4150224
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-butyl-3-cyclopentylurea
SMILESCCCCNC(=O)NC1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-3-8-11-10(13)12-9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyARCVFKWJDGJEKK-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dibutylurea
CID 74523
1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
Cyclopentylurea
CID 294526
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Tert-butyl-3-cyclohexylurea
CID 306672
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
1-Cyclohexyl-3-ethylurea
CID 5151398

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclopentylurea?
The IUPAC name of 1-butyl-3-cyclopentylurea (CID 4150224) is 1-butyl-3-cyclopentylurea.
What is the SMILES notation for 1-butyl-3-cyclopentylurea?
The canonical SMILES for 1-butyl-3-cyclopentylurea is CCCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-butyl-3-cyclopentylurea?
The InChIKey is ARCVFKWJDGJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-8-11-10(13)12-9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-butyl-3-cyclopentylurea?
1-butyl-3-cyclopentylurea has a molecular weight of 184.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopentylurea is sourced from PubChem (CID 4150224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).