2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone

C19H26N2O3 — CID 71929615

IUPAC2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H26N2O3/c22-17(20-12-10-19(14-20)8-2-1-3-9-19)15-6-4-11-21(15)18(23)16-7-5-13-24-16/h5,7,13,15H,1-4,6,8-12,14H2/t15-/m0/s1
InChIKeyXTDSKEBEFWUYRP-HNNXBMFYSA-N
MW330.43 g/mol
LogP3.07
Rot. Bonds2

About 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone

2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 71929615) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID71929615
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H26N2O3/c22-17(20-12-10-19(14-20)8-2-1-3-9-19)15-6-4-11-21(15)18(23)16-7-5-13-24-16/h5,7,13,15H,1-4,6,8-12,14H2/t15-/m0/s1
InChIKeyXTDSKEBEFWUYRP-HNNXBMFYSA-N
XLogP3.07
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869342
1-[4-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 86876183
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263192
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide
CID 119480055
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(furan-2-yl)methanone
CID 81097623

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone (CID 71929615) is 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is XTDSKEBEFWUYRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17(20-12-10-19(14-20)8-2-1-3-9-19)15-6-4-11-21(15)18(23)16-7-5-13-24-16/h5,7,13,15H,1-4,6,8-12,14H2/t15-/m0/s1.
What are the key properties of 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 71929615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).