furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone

C19H23N3O3 — CID 166365151

IUPACfuran-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone
SMILESCN1CCC2(CCN(C(=O)c3cc(C(=O)c4ccco4)c[nH]3)CC2)C1
InChIInChI=1S/C19H23N3O3/c1-21-7-4-19(13-21)5-8-22(9-6-19)18(24)15-11-14(12-20-15)17(23)16-3-2-10-25-16/h2-3,10-12,20H,4-9,13H2,1H3
InChIKeyFAZGCZGINKTNOA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.40
Rot. Bonds3

About furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone

furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone (PubChem CID 166365151) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone
PubChem CID166365151
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namefuran-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone
SMILESCN1CCC2(CCN(C(=O)c3cc(C(=O)c4ccco4)c[nH]3)CC2)C1
InChIInChI=1S/C19H23N3O3/c1-21-7-4-19(13-21)5-8-22(9-6-19)18(24)15-11-14(12-20-15)17(23)16-3-2-10-25-16/h2-3,10-12,20H,4-9,13H2,1H3
InChIKeyFAZGCZGINKTNOA-UHFFFAOYSA-N
XLogP2.40
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50968436
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896
furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155842296
[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
CID 70848896
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
furan-2-yl-[2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3232660
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone (CID 166365151) is furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone is CN1CCC2(CCN(C(=O)c3cc(C(=O)c4ccco4)c[nH]3)CC2)C1.
What is the InChIKey of furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone?
The InChIKey is FAZGCZGINKTNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-7-4-19(13-21)5-8-22(9-6-19)18(24)15-11-14(12-20-15)17(23)16-3-2-10-25-16/h2-3,10-12,20H,4-9,13H2,1H3.
What are the key properties of furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone?
furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 166365151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).