1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

C10H13NO — CID 6428862

IUPAC1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
SMILESCC(=O)c1cc(C)c2n1CCC2
InChIInChI=1S/C10H13NO/c1-7-6-10(8(2)12)11-5-3-4-9(7)11/h6H,3-5H2,1-2H3
InChIKeyGEURXEPGCAPDNA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.95
Rot. Bonds1

About 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone (PubChem CID 6428862) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
PubChem CID6428862
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
SMILESCC(=O)c1cc(C)c2n1CCC2
InChIInChI=1S/C10H13NO/c1-7-6-10(8(2)12)11-5-3-4-9(7)11/h6H,3-5H2,1-2H3
InChIKeyGEURXEPGCAPDNA-UHFFFAOYSA-N
XLogP1.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
The IUPAC name of 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone (CID 6428862) is 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
The canonical SMILES for 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone is CC(=O)c1cc(C)c2n1CCC2.
What is the InChIKey of 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
The InChIKey is GEURXEPGCAPDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-6-10(8(2)12)11-5-3-4-9(7)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone is sourced from PubChem (CID 6428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).