5,6,7,8-tetrahydropyrrolizin-3-one

C7H9NO — CID 16747700

IUPAC5,6,7,8-tetrahydropyrrolizin-3-one
SMILESO=C1C=CC2CCCN12
InChIInChI=1S/C7H9NO/c9-7-4-3-6-2-1-5-8(6)7/h3-4,6H,1-2,5H2
InChIKeyFVZBHZCORGROSI-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.55
Rot. Bonds

About 5,6,7,8-tetrahydropyrrolizin-3-one

5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 16747700) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID16747700
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5,6,7,8-tetrahydropyrrolizin-3-one
SMILESO=C1C=CC2CCCN12
InChIInChI=1S/C7H9NO/c9-7-4-3-6-2-1-5-8(6)7/h3-4,6H,1-2,5H2
InChIKeyFVZBHZCORGROSI-UHFFFAOYSA-N
XLogP0.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8R)-5,6,7,8-tetrahydropyrrolizin-3-one
CID 5325756
(8S)-5,6,7,8-Tetrahydropyrrolizin-3-one
CID 11029828
5,7A-dihydro-1H-pyrrolizin-3(2H)-one
CID 14942505
(S)-2-Methyl-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-one
CID 15248425
(8S)-2-methyl-5,6,7,8-tetrahydropyrrolizin-3-one
CID 15248426
(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one
CID 15379691
1-(Cyclopent-3-en-1-yl)-1H-pyrrol-2(5H)-one
CID 45088231
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
(9Z,10aR)-2-methylidene-1,5,6,7,8,10a-hexahydropyrrolo[1,2-a]azocin-3-one
CID 71763939
1-Methyl-5,6,7,8-tetrahydropyrrolizin-3-one
CID 85675645
(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 129395198
8-methyl-6,7-dihydro-5H-pyrrolizin-3-one
CID 134858995

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of 5,6,7,8-tetrahydropyrrolizin-3-one (CID 16747700) is 5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for 5,6,7,8-tetrahydropyrrolizin-3-one is O=C1C=CC2CCCN12.
What is the InChIKey of 5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is FVZBHZCORGROSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-7-4-3-6-2-1-5-8(6)7/h3-4,6H,1-2,5H2.
What are the key properties of 5,6,7,8-tetrahydropyrrolizin-3-one?
5,6,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 123.15 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 16747700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).