8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C9H15NO2 — CID 126658716

IUPAC8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1CC2(CO)CCCN2C1=O
InChIInChI=1S/C9H15NO2/c1-7-5-9(6-11)3-2-4-10(9)8(7)12/h7,11H,2-6H2,1H3
InChIKeyLYRFSFVZCBVNOZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.38
Rot. Bonds1

About 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 126658716) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID126658716
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1CC2(CO)CCCN2C1=O
InChIInChI=1S/C9H15NO2/c1-7-5-9(6-11)3-2-4-10(9)8(7)12/h7,11H,2-6H2,1H3
InChIKeyLYRFSFVZCBVNOZ-UHFFFAOYSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 126658716) is 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC1CC2(CO)CCCN2C1=O.
What is the InChIKey of 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is LYRFSFVZCBVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-5-9(6-11)3-2-4-10(9)8(7)12/h7,11H,2-6H2,1H3.
What are the key properties of 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 126658716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).