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

C11H15NO — CID 86127302

IUPAC1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one
SMILESCCCC(=O)c1ccc2n1CCC2
InChIInChI=1S/C11H15NO/c1-2-4-11(13)10-7-6-9-5-3-8-12(9)10/h6-7H,2-5,8H2,1H3
InChIKeyUDBBNHVKMDHCPL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.42
Rot. Bonds3

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

1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one (PubChem CID 86127302) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one
PubChem CID86127302
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one
SMILESCCCC(=O)c1ccc2n1CCC2
InChIInChI=1S/C11H15NO/c1-2-4-11(13)10-7-6-9-5-3-8-12(9)10/h6-7H,2-5,8H2,1H3
InChIKeyUDBBNHVKMDHCPL-UHFFFAOYSA-N
XLogP2.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.42
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)butan-1-one?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one (CID 86127302) is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one is CCCC(=O)c1ccc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one?
The InChIKey is UDBBNHVKMDHCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-11(13)10-7-6-9-5-3-8-12(9)10/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one?
1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.42, 3 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)butan-1-one is sourced from PubChem (CID 86127302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).