(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C15H19NO4 — CID 706698

IUPAC(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2ccco2)C2(CCCCC2)O1
InChIInChI=1S/C15H19NO4/c17-13-9-12(15(20-13)6-2-1-3-7-15)14(18)16-10-11-5-4-8-19-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,16,18)/t12-/m1/s1
InChIKeyZKVYERWCJUZWEM-GFCCVEGCSA-N
MW277.32 g/mol
LogP2.16
Rot. Bonds3

About (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 706698) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID706698
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2ccco2)C2(CCCCC2)O1
InChIInChI=1S/C15H19NO4/c17-13-9-12(15(20-13)6-2-1-3-7-15)14(18)16-10-11-5-4-8-19-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,16,18)/t12-/m1/s1
InChIKeyZKVYERWCJUZWEM-GFCCVEGCSA-N
XLogP2.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
N-(1,3-benzothiazol-7-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 164695892
(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125171625
2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131951276
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
sodium trans-(1R,3S)-3-(furan-2-ylmethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 23681912
(2R,3R,6S)-6-(furan-2-ylmethylcarbamoyl)-1,1,2-trimethylspiro[2.3]hexane-2-carboxylic acid
CID 11871437
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 706698) is (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is O=C1C[C@H](C(=O)NCc2ccco2)C2(CCCCC2)O1.
What is the InChIKey of (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is ZKVYERWCJUZWEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-9-12(15(20-13)6-2-1-3-7-15)14(18)16-10-11-5-4-8-19-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,16,18)/t12-/m1/s1.
What are the key properties of (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 706698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).