4-(furan-2-yl)-1-propan-2-ylazepan-4-ol

C13H21NO2 — CID 65077325

IUPAC4-(furan-2-yl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(c2ccco2)CC1
InChIInChI=1S/C13H21NO2/c1-11(2)14-8-4-6-13(15,7-9-14)12-5-3-10-16-12/h3,5,10-11,15H,4,6-9H2,1-2H3
InChIKeyGWILNQFVWJUYIE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.36
Rot. Bonds2

About 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol

4-(furan-2-yl)-1-propan-2-ylazepan-4-ol (PubChem CID 65077325) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(furan-2-yl)-1-propan-2-ylazepan-4-ol
PubChem CID65077325
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(furan-2-yl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(c2ccco2)CC1
InChIInChI=1S/C13H21NO2/c1-11(2)14-8-4-6-13(15,7-9-14)12-5-3-10-16-12/h3,5,10-11,15H,4,6-9H2,1-2H3
InChIKeyGWILNQFVWJUYIE-UHFFFAOYSA-N
XLogP2.36
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol (CID 65077325) is 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol?
The InChIKey is GWILNQFVWJUYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)14-8-4-6-13(15,7-9-14)12-5-3-10-16-12/h3,5,10-11,15H,4,6-9H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol?
4-(furan-2-yl)-1-propan-2-ylazepan-4-ol has a molecular weight of 223.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).