1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one

C16H25N3O — CID 56752064

IUPAC1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC2(CCNC2)C1)n1cccc1
InChIInChI=1S/C16H25N3O/c1-15(2,19-10-3-4-11-19)14(20)18-9-5-6-16(13-18)7-8-17-12-16/h3-4,10-11,17H,5-9,12-13H2,1-2H3
InChIKeyMUUKSDXZZKEDMF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one

1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one (PubChem CID 56752064) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one
PubChem CID56752064
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC2(CCNC2)C1)n1cccc1
InChIInChI=1S/C16H25N3O/c1-15(2,19-10-3-4-11-19)14(20)18-9-5-6-16(13-18)7-8-17-12-16/h3-4,10-11,17H,5-9,12-13H2,1-2H3
InChIKeyMUUKSDXZZKEDMF-UHFFFAOYSA-N
XLogP1.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one (CID 56752064) is 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one is CC(C)(C(=O)N1CCCC2(CCNC2)C1)n1cccc1.
What is the InChIKey of 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one?
The InChIKey is MUUKSDXZZKEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-15(2,19-10-3-4-11-19)14(20)18-9-5-6-16(13-18)7-8-17-12-16/h3-4,10-11,17H,5-9,12-13H2,1-2H3.
What are the key properties of 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one?
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 56752064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).