9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C17H19N3O2S — CID 118739817

IUPAC9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc[nH]1)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C17H19N3O2S/c21-15(14-3-1-7-18-14)19-8-2-5-17(12-19)6-9-20(16(17)22)13-4-10-23-11-13/h1,3-4,7,10-11,18H,2,5-6,8-9,12H2
InChIKeyYQOUZEYIKNPEGR-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.74
Rot. Bonds2

About 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118739817) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118739817
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc[nH]1)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C17H19N3O2S/c21-15(14-3-1-7-18-14)19-8-2-5-17(12-19)6-9-20(16(17)22)13-4-10-23-11-13/h1,3-4,7,10-11,18H,2,5-6,8-9,12H2
InChIKeyYQOUZEYIKNPEGR-UHFFFAOYSA-N
XLogP2.74
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118739817) is 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccc[nH]1)N1CCCC2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YQOUZEYIKNPEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-15(14-3-1-7-18-14)19-8-2-5-17(12-19)6-9-20(16(17)22)13-4-10-23-11-13/h1,3-4,7,10-11,18H,2,5-6,8-9,12H2.
What are the key properties of 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 329.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-pyrrole-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118739817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).