(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

C16H20ClNO3 — CID 138000825

IUPAC(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CC2(CCC2)C1C1CCOCC1
InChIInChI=1S/C16H20ClNO3/c17-14-12(4-9-21-14)15(19)18-10-16(5-1-6-16)13(18)11-2-7-20-8-3-11/h4,9,11,13H,1-3,5-8,10H2
InChIKeyXEHISPJCWIECPZ-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.35
Rot. Bonds2

About (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 138000825) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID138000825
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CC2(CCC2)C1C1CCOCC1
InChIInChI=1S/C16H20ClNO3/c17-14-12(4-9-21-14)15(19)18-10-16(5-1-6-16)13(18)11-2-7-20-8-3-11/h4,9,11,13H,1-3,5-8,10H2
InChIKeyXEHISPJCWIECPZ-UHFFFAOYSA-N
XLogP3.35
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 138000825) is (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(c1ccoc1Cl)N1CC2(CCC2)C1C1CCOCC1.
What is the InChIKey of (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is XEHISPJCWIECPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-12(4-9-21-14)15(19)18-10-16(5-1-6-16)13(18)11-2-7-20-8-3-11/h4,9,11,13H,1-3,5-8,10H2.
What are the key properties of (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 309.79 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 138000825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).