1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone

C14H21N3O — CID 115276479

IUPAC1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc[nH]1)N1CCC2(CCNC2)CC1
InChIInChI=1S/C14H21N3O/c18-13(10-12-2-1-6-16-12)17-8-4-14(5-9-17)3-7-15-11-14/h1-2,6,15-16H,3-5,7-11H2
InChIKeyXTWGRRIXELAFBY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.16
Rot. Bonds2

About 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone

1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone (PubChem CID 115276479) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone
PubChem CID115276479
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc[nH]1)N1CCC2(CCNC2)CC1
InChIInChI=1S/C14H21N3O/c18-13(10-12-2-1-6-16-12)17-8-4-14(5-9-17)3-7-15-11-14/h1-2,6,15-16H,3-5,7-11H2
InChIKeyXTWGRRIXELAFBY-UHFFFAOYSA-N
XLogP1.16
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone (CID 115276479) is 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone is O=C(Cc1ccc[nH]1)N1CCC2(CCNC2)CC1.
What is the InChIKey of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone?
The InChIKey is XTWGRRIXELAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-13(10-12-2-1-6-16-12)17-8-4-14(5-9-17)3-7-15-11-14/h1-2,6,15-16H,3-5,7-11H2.
What are the key properties of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone?
1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 115276479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).