N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide

C10H15N3O2 — CID 166529368

IUPACN-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CC#N)C1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)9(14)12-8-3-5-13(6-4-11)10(8)15/h7-8H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyBOOBYXQSDVNSME-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.12
Rot. Bonds3

About N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide

N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 166529368) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide
PubChem CID166529368
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CC#N)C1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)9(14)12-8-3-5-13(6-4-11)10(8)15/h7-8H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyBOOBYXQSDVNSME-UHFFFAOYSA-N
XLogP-0.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide (CID 166529368) is N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(CC#N)C1=O.
What is the InChIKey of N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is BOOBYXQSDVNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)9(14)12-8-3-5-13(6-4-11)10(8)15/h7-8H,3,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide?
N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 209.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 166529368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).