azepan-4-ol

C6H13NO — CID 5149746

IUPACazepan-4-ol
SMILESOC1CCCNCC1
InChIInChI=1S/C6H13NO/c8-6-2-1-4-7-5-3-6/h6-8H,1-5H2
InChIKeyJKYGZQCMFANMFM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.12
Rot. Bonds

About azepan-4-ol

azepan-4-ol (PubChem CID 5149746) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is azepan-4-ol.

Molecular Properties

Compound Nameazepan-4-ol
PubChem CID5149746
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameazepan-4-ol
SMILESOC1CCCNCC1
InChIInChI=1S/C6H13NO/c8-6-2-1-4-7-5-3-6/h6-8H,1-5H2
InChIKeyJKYGZQCMFANMFM-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-4-ol?
The IUPAC name of azepan-4-ol (CID 5149746) is azepan-4-ol.
What is the SMILES notation for azepan-4-ol?
The canonical SMILES for azepan-4-ol is OC1CCCNCC1.
What is the InChIKey of azepan-4-ol?
The InChIKey is JKYGZQCMFANMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c8-6-2-1-4-7-5-3-6/h6-8H,1-5H2.
What are the key properties of azepan-4-ol?
azepan-4-ol has a molecular weight of 115.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-4-ol is sourced from PubChem (CID 5149746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).