4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one

C14H17NO3 — CID 695356

IUPAC4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(NCc2ccco2)C2(CCCCC2)O1
InChIInChI=1S/C14H17NO3/c16-13-9-12(15-10-11-5-4-8-17-11)14(18-13)6-2-1-3-7-14/h4-5,8-9,15H,1-3,6-7,10H2
InChIKeyUAPRLALETZHNAT-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.51
Rot. Bonds3

About 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one

4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 695356) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID695356
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(NCc2ccco2)C2(CCCCC2)O1
InChIInChI=1S/C14H17NO3/c16-13-9-12(15-10-11-5-4-8-17-11)14(18-13)6-2-1-3-7-14/h4-5,8-9,15H,1-3,6-7,10H2
InChIKeyUAPRLALETZHNAT-UHFFFAOYSA-N
XLogP2.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one (CID 695356) is 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(NCc2ccco2)C2(CCCCC2)O1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is UAPRLALETZHNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-9-12(15-10-11-5-4-8-17-11)14(18-13)6-2-1-3-7-14/h4-5,8-9,15H,1-3,6-7,10H2.
What are the key properties of 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 695356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).