5-hydroxypentylurea

C6H14N2O2 — CID 22179523

IUPAC5-hydroxypentylurea
SMILESNC(=O)NCCCCCO
InChIInChI=1S/C6H14N2O2/c7-6(10)8-4-2-1-3-5-9/h9H,1-5H2,(H3,7,8,10)
InChIKeyYENLKAMLRHCUCQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.18
Rot. Bonds5

About 5-hydroxypentylurea

5-hydroxypentylurea (PubChem CID 22179523) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-hydroxypentylurea.

Molecular Properties

Compound Name5-hydroxypentylurea
PubChem CID22179523
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name5-hydroxypentylurea
SMILESNC(=O)NCCCCCO
InChIInChI=1S/C6H14N2O2/c7-6(10)8-4-2-1-3-5-9/h9H,1-5H2,(H3,7,8,10)
InChIKeyYENLKAMLRHCUCQ-UHFFFAOYSA-N
XLogP-0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
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 5-hydroxypentylurea?
The IUPAC name of 5-hydroxypentylurea (CID 22179523) is 5-hydroxypentylurea.
What is the SMILES notation for 5-hydroxypentylurea?
The canonical SMILES for 5-hydroxypentylurea is NC(=O)NCCCCCO.
What is the InChIKey of 5-hydroxypentylurea?
The InChIKey is YENLKAMLRHCUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-6(10)8-4-2-1-3-5-9/h9H,1-5H2,(H3,7,8,10).
What are the key properties of 5-hydroxypentylurea?
5-hydroxypentylurea has a molecular weight of 146.19 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentylurea is sourced from PubChem (CID 22179523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).