5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide

C10H19N3O2 — CID 106237309

IUPAC5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
SMILESCN1CCC(NCCCCC(N)=O)C1=O
InChIInChI=1S/C10H19N3O2/c1-13-7-5-8(10(13)15)12-6-3-2-4-9(11)14/h8,12H,2-7H2,1H3,(H2,11,14)
InChIKeyNHWIXAAHXQJYPK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.54
Rot. Bonds6

About 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide

5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide (PubChem CID 106237309) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
PubChem CID106237309
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
SMILESCN1CCC(NCCCCC(N)=O)C1=O
InChIInChI=1S/C10H19N3O2/c1-13-7-5-8(10(13)15)12-6-3-2-4-9(11)14/h8,12H,2-7H2,1H3,(H2,11,14)
InChIKeyNHWIXAAHXQJYPK-UHFFFAOYSA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide?
The IUPAC name of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide (CID 106237309) is 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide.
What is the SMILES notation for 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide?
The canonical SMILES for 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide is CN1CCC(NCCCCC(N)=O)C1=O.
What is the InChIKey of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide?
The InChIKey is NHWIXAAHXQJYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-13-7-5-8(10(13)15)12-6-3-2-4-9(11)14/h8,12H,2-7H2,1H3,(H2,11,14).
What are the key properties of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide?
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide has a molecular weight of 213.28 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide is sourced from PubChem (CID 106237309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).