1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C14H19N3O — CID 114238785

IUPAC1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(NC1CC(=O)N2CCCC12)c1ccncc1
InChIInChI=1S/C14H19N3O/c1-10(11-4-6-15-7-5-11)16-12-9-14(18)17-8-2-3-13(12)17/h4-7,10,12-13,16H,2-3,8-9H2,1H3
InChIKeyNCUZOKLQLXMROM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds3

About 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 114238785) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID114238785
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(NC1CC(=O)N2CCCC12)c1ccncc1
InChIInChI=1S/C14H19N3O/c1-10(11-4-6-15-7-5-11)16-12-9-14(18)17-8-2-3-13(12)17/h4-7,10,12-13,16H,2-3,8-9H2,1H3
InChIKeyNCUZOKLQLXMROM-UHFFFAOYSA-N
XLogP1.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 114238785) is 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(NC1CC(=O)N2CCCC12)c1ccncc1.
What is the InChIKey of 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is NCUZOKLQLXMROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(11-4-6-15-7-5-11)16-12-9-14(18)17-8-2-3-13(12)17/h4-7,10,12-13,16H,2-3,8-9H2,1H3.
What are the key properties of 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 245.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 114238785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).