1-hydroxyazepan-4-ol

C6H13NO2 — CID 57473453

IUPAC1-hydroxyazepan-4-ol
SMILESOC1CCCN(O)CC1
InChIInChI=1S/C6H13NO2/c8-6-2-1-4-7(9)5-3-6/h6,8-9H,1-5H2
InChIKeyVLGJHSUCLHNLQU-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.22
Rot. Bonds

About 1-hydroxyazepan-4-ol

1-hydroxyazepan-4-ol (PubChem CID 57473453) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-hydroxyazepan-4-ol.

Molecular Properties

Compound Name1-hydroxyazepan-4-ol
PubChem CID57473453
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-hydroxyazepan-4-ol
SMILESOC1CCCN(O)CC1
InChIInChI=1S/C6H13NO2/c8-6-2-1-4-7(9)5-3-6/h6,8-9H,1-5H2
InChIKeyVLGJHSUCLHNLQU-UHFFFAOYSA-N
XLogP0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyazepan-4-ol?
The IUPAC name of 1-hydroxyazepan-4-ol (CID 57473453) is 1-hydroxyazepan-4-ol.
What is the SMILES notation for 1-hydroxyazepan-4-ol?
The canonical SMILES for 1-hydroxyazepan-4-ol is OC1CCCN(O)CC1.
What is the InChIKey of 1-hydroxyazepan-4-ol?
The InChIKey is VLGJHSUCLHNLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-6-2-1-4-7(9)5-3-6/h6,8-9H,1-5H2.
What are the key properties of 1-hydroxyazepan-4-ol?
1-hydroxyazepan-4-ol has a molecular weight of 131.18 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyazepan-4-ol is sourced from PubChem (CID 57473453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).