(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone

C15H22N2O2 — CID 126835484

IUPAC(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCC1CC2(CCOCC2)CN1C(=O)c1cccn1C
InChIInChI=1S/C15H22N2O2/c1-12-10-15(5-8-19-9-6-15)11-17(12)14(18)13-4-3-7-16(13)2/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyBMMUSRJHKWQCNM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds1

About (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone

(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 126835484) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID126835484
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCC1CC2(CCOCC2)CN1C(=O)c1cccn1C
InChIInChI=1S/C15H22N2O2/c1-12-10-15(5-8-19-9-6-15)11-17(12)14(18)13-4-3-7-16(13)2/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyBMMUSRJHKWQCNM-UHFFFAOYSA-N
XLogP2.06
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone (CID 126835484) is (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone is CC1CC2(CCOCC2)CN1C(=O)c1cccn1C.
What is the InChIKey of (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is BMMUSRJHKWQCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-10-15(5-8-19-9-6-15)11-17(12)14(18)13-4-3-7-16(13)2/h3-4,7,12H,5-6,8-11H2,1-2H3.
What are the key properties of (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone?
(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 126835484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).