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

C10H13NO — CID 6428844

IUPAC1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one
SMILESCCC(=O)c1ccc2n1CCC2
InChIInChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3
InChIKeyWOCOJSXECLIQIX-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.03
Rot. Bonds2

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

1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one (PubChem CID 6428844) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one
PubChem CID6428844
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one
SMILESCCC(=O)c1ccc2n1CCC2
InChIInChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3
InChIKeyWOCOJSXECLIQIX-UHFFFAOYSA-N
XLogP2.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.03
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)propan-1-one?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one (CID 6428844) is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one is CCC(=O)c1ccc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one?
The InChIKey is WOCOJSXECLIQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one?
1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.03, 2 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)propan-1-one is sourced from PubChem (CID 6428844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).