2-hydroxyheptanamide

C7H15NO2 — CID 57005484

IUPAC2-hydroxyheptanamide
SMILESCCCCCC(O)C(N)=O
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-6(9)7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyUASBPOOBTIHEPT-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.41
Rot. Bonds5

About 2-hydroxyheptanamide

2-hydroxyheptanamide (PubChem CID 57005484) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-hydroxyheptanamide.

Molecular Properties

Compound Name2-hydroxyheptanamide
PubChem CID57005484
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-hydroxyheptanamide
SMILESCCCCCC(O)C(N)=O
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-6(9)7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyUASBPOOBTIHEPT-UHFFFAOYSA-N
XLogP0.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
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 2-hydroxyheptanamide?
The IUPAC name of 2-hydroxyheptanamide (CID 57005484) is 2-hydroxyheptanamide.
What is the SMILES notation for 2-hydroxyheptanamide?
The canonical SMILES for 2-hydroxyheptanamide is CCCCCC(O)C(N)=O.
What is the InChIKey of 2-hydroxyheptanamide?
The InChIKey is UASBPOOBTIHEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-4-5-6(9)7(8)10/h6,9H,2-5H2,1H3,(H2,8,10).
What are the key properties of 2-hydroxyheptanamide?
2-hydroxyheptanamide has a molecular weight of 145.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyheptanamide is sourced from PubChem (CID 57005484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).