4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide

C13H21N3O2 — CID 79210711

IUPAC4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21N3O2/c1-9(8-16-6-2-3-12(16)17)15-13(18)10-4-5-11(14)7-10/h4-5,9-11H,2-3,6-8,14H2,1H3,(H,15,18)
InChIKeyVCPHGNJDXUMAHL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds4

About 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide

4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210711) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide
PubChem CID79210711
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21N3O2/c1-9(8-16-6-2-3-12(16)17)15-13(18)10-4-5-11(14)7-10/h4-5,9-11H,2-3,6-8,14H2,1H3,(H,15,18)
InChIKeyVCPHGNJDXUMAHL-UHFFFAOYSA-N
XLogP0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide (CID 79210711) is 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide is CC(CN1CCCC1=O)NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide?
The InChIKey is VCPHGNJDXUMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(8-16-6-2-3-12(16)17)15-13(18)10-4-5-11(14)7-10/h4-5,9-11H,2-3,6-8,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).