9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone

C13H18N2O2 — CID 86771081

IUPAC9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCOCC12CCCC2
InChIInChI=1S/C13H18N2O2/c16-12(11-4-3-7-14-11)15-8-9-17-10-13(15)5-1-2-6-13/h3-4,7,14H,1-2,5-6,8-10H2
InChIKeyGYORMIBAMGYMQA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.80
Rot. Bonds1

About 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone

9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone (PubChem CID 86771081) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone
PubChem CID86771081
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCOCC12CCCC2
InChIInChI=1S/C13H18N2O2/c16-12(11-4-3-7-14-11)15-8-9-17-10-13(15)5-1-2-6-13/h3-4,7,14H,1-2,5-6,8-10H2
InChIKeyGYORMIBAMGYMQA-UHFFFAOYSA-N
XLogP1.80
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone?
The IUPAC name of 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone (CID 86771081) is 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone?
The canonical SMILES for 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCOCC12CCCC2.
What is the InChIKey of 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone?
The InChIKey is GYORMIBAMGYMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12(11-4-3-7-14-11)15-8-9-17-10-13(15)5-1-2-6-13/h3-4,7,14H,1-2,5-6,8-10H2.
What are the key properties of 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone?
9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 86771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).