4-hydroxyhexanamide

C6H13NO2 — CID 15517102

IUPAC4-hydroxyhexanamide
SMILESCCC(O)CCC(N)=O
InChIInChI=1S/C6H13NO2/c1-2-5(8)3-4-6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)
InChIKeySVDPWUPHFHNWAH-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.02
Rot. Bonds4

About 4-hydroxyhexanamide

4-hydroxyhexanamide (PubChem CID 15517102) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-hydroxyhexanamide.

Molecular Properties

Compound Name4-hydroxyhexanamide
PubChem CID15517102
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-hydroxyhexanamide
SMILESCCC(O)CCC(N)=O
InChIInChI=1S/C6H13NO2/c1-2-5(8)3-4-6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)
InChIKeySVDPWUPHFHNWAH-UHFFFAOYSA-N
XLogP0.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhexanamide?
The IUPAC name of 4-hydroxyhexanamide (CID 15517102) is 4-hydroxyhexanamide.
What is the SMILES notation for 4-hydroxyhexanamide?
The canonical SMILES for 4-hydroxyhexanamide is CCC(O)CCC(N)=O.
What is the InChIKey of 4-hydroxyhexanamide?
The InChIKey is SVDPWUPHFHNWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-5(8)3-4-6(7)9/h5,8H,2-4H2,1H3,(H2,7,9).
What are the key properties of 4-hydroxyhexanamide?
4-hydroxyhexanamide has a molecular weight of 131.18 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyhexanamide is sourced from PubChem (CID 15517102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).