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

C9H11NO — CID 526559

IUPAC1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
SMILESCC(=O)c1ccc2n1CCC2
InChIInChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3
InChIKeyNWSCEJHRUVCUSX-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.64
Rot. Bonds1

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

1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone (PubChem CID 526559) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
PubChem CID526559
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
SMILESCC(=O)c1ccc2n1CCC2
InChIInChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3
InChIKeyNWSCEJHRUVCUSX-UHFFFAOYSA-N
XLogP1.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone (CID 526559) is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone is CC(=O)c1ccc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
The InChIKey is NWSCEJHRUVCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone?
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone is sourced from PubChem (CID 526559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).