N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide

C12H21N3O2 — CID 70429426

IUPACN-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
SMILESCC(NC(=O)C1CCC2CCC(=O)N21)N(C)C
InChIInChI=1S/C12H21N3O2/c1-8(14(2)3)13-12(17)10-6-4-9-5-7-11(16)15(9)10/h8-10H,4-7H2,1-3H3,(H,13,17)
InChIKeyHJIDIKKXHCWAAO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.16
Rot. Bonds3

About N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide

N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide (PubChem CID 70429426) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
PubChem CID70429426
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
SMILESCC(NC(=O)C1CCC2CCC(=O)N21)N(C)C
InChIInChI=1S/C12H21N3O2/c1-8(14(2)3)13-12(17)10-6-4-9-5-7-11(16)15(9)10/h8-10H,4-7H2,1-3H3,(H,13,17)
InChIKeyHJIDIKKXHCWAAO-UHFFFAOYSA-N
XLogP0.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide (CID 70429426) is N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide is CC(NC(=O)C1CCC2CCC(=O)N21)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
The InChIKey is HJIDIKKXHCWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(14(2)3)13-12(17)10-6-4-9-5-7-11(16)15(9)10/h8-10H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide is sourced from PubChem (CID 70429426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).