[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone

C15H23N3O — CID 3234289

IUPAC[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
InChIInChI=1S/C15H23N3O/c1-16-10-7-15(11-16)6-4-9-18(12-15)14(19)13-5-3-8-17(13)2/h3,5,8H,4,6-7,9-12H2,1-2H3/t15-/m0/s1
InChIKeyLHASBUWCUHKWOO-HNNXBMFYSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds1

About [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone

[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 3234289) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID3234289
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
InChIInChI=1S/C15H23N3O/c1-16-10-7-15(11-16)6-4-9-18(12-15)14(19)13-5-3-8-17(13)2/h3,5,8H,4,6-7,9-12H2,1-2H3/t15-/m0/s1
InChIKeyLHASBUWCUHKWOO-HNNXBMFYSA-N
XLogP1.58
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone (CID 3234289) is [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone is CN1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1.
What is the InChIKey of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is LHASBUWCUHKWOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-10-7-15(11-16)6-4-9-18(12-15)14(19)13-5-3-8-17(13)2/h3,5,8H,4,6-7,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone?
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 3234289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).