3-amino-1-(furan-3-yl)cyclohexan-1-ol

C10H15NO2 — CID 80561335

IUPAC3-amino-1-(furan-3-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccoc2)C1
InChIInChI=1S/C10H15NO2/c11-9-2-1-4-10(12,6-9)8-3-5-13-7-8/h3,5,7,9,12H,1-2,4,6,11H2
InChIKeyPMTJNGVHLKUKMP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.37
Rot. Bonds1

About 3-amino-1-(furan-3-yl)cyclohexan-1-ol

3-amino-1-(furan-3-yl)cyclohexan-1-ol (PubChem CID 80561335) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-amino-1-(furan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(furan-3-yl)cyclohexan-1-ol
PubChem CID80561335
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-amino-1-(furan-3-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccoc2)C1
InChIInChI=1S/C10H15NO2/c11-9-2-1-4-10(12,6-9)8-3-5-13-7-8/h3,5,7,9,12H,1-2,4,6,11H2
InChIKeyPMTJNGVHLKUKMP-UHFFFAOYSA-N
XLogP1.37
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-3-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(furan-3-yl)cyclohexan-1-ol (CID 80561335) is 3-amino-1-(furan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(furan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(furan-3-yl)cyclohexan-1-ol is NC1CCCC(O)(c2ccoc2)C1.
What is the InChIKey of 3-amino-1-(furan-3-yl)cyclohexan-1-ol?
The InChIKey is PMTJNGVHLKUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-9-2-1-4-10(12,6-9)8-3-5-13-7-8/h3,5,7,9,12H,1-2,4,6,11H2.
What are the key properties of 3-amino-1-(furan-3-yl)cyclohexan-1-ol?
3-amino-1-(furan-3-yl)cyclohexan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 80561335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).