(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide

C12H21N3O2 — CID 155280645

IUPAC(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESC/C=C1/CCC(=O)N1C(=O)N(C(C)C)C(C)N
InChIInChI=1S/C12H21N3O2/c1-5-10-6-7-11(16)15(10)12(17)14(8(2)3)9(4)13/h5,8-9H,6-7,13H2,1-4H3/b10-5-
InChIKeyJZIBKRHKNJUVJV-YHYXMXQVSA-N
MW239.32 g/mol
LogP1.65
Rot. Bonds2

About (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide

(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 155280645) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID155280645
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESC/C=C1/CCC(=O)N1C(=O)N(C(C)C)C(C)N
InChIInChI=1S/C12H21N3O2/c1-5-10-6-7-11(16)15(10)12(17)14(8(2)3)9(4)13/h5,8-9H,6-7,13H2,1-4H3/b10-5-
InChIKeyJZIBKRHKNJUVJV-YHYXMXQVSA-N
XLogP1.65
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.65
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 (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide (CID 155280645) is (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide is C/C=C1/CCC(=O)N1C(=O)N(C(C)C)C(C)N.
What is the InChIKey of (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is JZIBKRHKNJUVJV-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-6-7-11(16)15(10)12(17)14(8(2)3)9(4)13/h5,8-9H,6-7,13H2,1-4H3/b10-5-.
What are the key properties of (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide?
(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 155280645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).