N-(1-cyanobutan-2-yl)-5-hydroxypentanamide

C10H18N2O2 — CID 79198918

IUPACN-(1-cyanobutan-2-yl)-5-hydroxypentanamide
SMILESCCC(CC#N)NC(=O)CCCCO
InChIInChI=1S/C10H18N2O2/c1-2-9(6-7-11)12-10(14)5-3-4-8-13/h9,13H,2-6,8H2,1H3,(H,12,14)
InChIKeyURJZPIPSOQZOLW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.96
Rot. Bonds7

About N-(1-cyanobutan-2-yl)-5-hydroxypentanamide

N-(1-cyanobutan-2-yl)-5-hydroxypentanamide (PubChem CID 79198918) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-5-hydroxypentanamide
PubChem CID79198918
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(1-cyanobutan-2-yl)-5-hydroxypentanamide
SMILESCCC(CC#N)NC(=O)CCCCO
InChIInChI=1S/C10H18N2O2/c1-2-9(6-7-11)12-10(14)5-3-4-8-13/h9,13H,2-6,8H2,1H3,(H,12,14)
InChIKeyURJZPIPSOQZOLW-UHFFFAOYSA-N
XLogP0.96
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(1-cyanobutan-2-yl)-5-hydroxypentanamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-5-hydroxypentanamide (CID 79198918) is N-(1-cyanobutan-2-yl)-5-hydroxypentanamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-5-hydroxypentanamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-5-hydroxypentanamide is CCC(CC#N)NC(=O)CCCCO.
What is the InChIKey of N-(1-cyanobutan-2-yl)-5-hydroxypentanamide?
The InChIKey is URJZPIPSOQZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-9(6-7-11)12-10(14)5-3-4-8-13/h9,13H,2-6,8H2,1H3,(H,12,14).
What are the key properties of N-(1-cyanobutan-2-yl)-5-hydroxypentanamide?
N-(1-cyanobutan-2-yl)-5-hydroxypentanamide has a molecular weight of 198.27 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-5-hydroxypentanamide is sourced from PubChem (CID 79198918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).