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

C10H13NO2 — CID 6428976

IUPAC1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)c1ccc2n1CCC2
InChIInChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2
InChIKeyDLLQYHQNPSDCSK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds3

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

1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one (PubChem CID 6428976) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one
PubChem CID6428976
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)c1ccc2n1CCC2
InChIInChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2
InChIKeyDLLQYHQNPSDCSK-UHFFFAOYSA-N
XLogP1.00
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydro-1H-pyrrolizine-5-carbaldehyde
CID 6428138
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)ethanone
CID 526559
2,3-Dihydro-5-propanoyl-1H-pyrrolizine
CID 6428844
5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid
CID 13487074
5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine
CID 6428862
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione
CID 86127012
1H-Pyrrolizine-1-carboxylic acid, 5-(cyclobutylc
CID 13487071
5-(2,2-dimethylpropanoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487072
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone
CID 86127302
1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2-propen-1-one
CID 86127308
Cis-procuramine
CID 170990524
1-Oxo-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde
CID 11040858

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one (CID 6428976) is 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one is O=C(CCO)c1ccc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one?
The InChIKey is DLLQYHQNPSDCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one?
1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 6428976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).