5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C10H16N2O2 — CID 58849954

IUPAC5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCNC1CC2CCC(C(C)=O)N2C1=O
InChIInChI=1S/C10H16N2O2/c1-6(13)9-4-3-7-5-8(11-2)10(14)12(7)9/h7-9,11H,3-5H2,1-2H3
InChIKeyZKWNQLASZXOSAL-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.07
Rot. Bonds2

About 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 58849954) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID58849954
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCNC1CC2CCC(C(C)=O)N2C1=O
InChIInChI=1S/C10H16N2O2/c1-6(13)9-4-3-7-5-8(11-2)10(14)12(7)9/h7-9,11H,3-5H2,1-2H3
InChIKeyZKWNQLASZXOSAL-UHFFFAOYSA-N
XLogP-0.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 58849954) is 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CNC1CC2CCC(C(C)=O)N2C1=O.
What is the InChIKey of 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is ZKWNQLASZXOSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(13)9-4-3-7-5-8(11-2)10(14)12(7)9/h7-9,11H,3-5H2,1-2H3.
What are the key properties of 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 196.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 58849954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).