8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone

C15H21BrN2O — CID 63161139

IUPAC8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone
SMILESCn1cc(Br)cc1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H21BrN2O/c1-17-11-12(16)10-13(17)14(19)18-8-6-15(7-9-18)4-2-3-5-15/h10-11H,2-9H2,1H3
InChIKeyDYGMHIFTXISSLV-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.58
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone

8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone (PubChem CID 63161139) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone
PubChem CID63161139
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone
SMILESCn1cc(Br)cc1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H21BrN2O/c1-17-11-12(16)10-13(17)14(19)18-8-6-15(7-9-18)4-2-3-5-15/h10-11H,2-9H2,1H3
InChIKeyDYGMHIFTXISSLV-UHFFFAOYSA-N
XLogP3.58
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone (CID 63161139) is 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone is Cn1cc(Br)cc1C(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone?
The InChIKey is DYGMHIFTXISSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-11-12(16)10-13(17)14(19)18-8-6-15(7-9-18)4-2-3-5-15/h10-11H,2-9H2,1H3.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone?
8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone has a molecular weight of 325.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 63161139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).