N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C10H15N3O2 — CID 78983268

IUPACN-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C10H15N3O2/c1-7(4-11)6-13(2)10(15)8-3-9(14)12-5-8/h7-8H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyHBVNEUFNNBLFSQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.26
Rot. Bonds3

About N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983268) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78983268
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C10H15N3O2/c1-7(4-11)6-13(2)10(15)8-3-9(14)12-5-8/h7-8H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyHBVNEUFNNBLFSQ-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 78983268) is N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CC(C#N)CN(C)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HBVNEUFNNBLFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(4-11)6-13(2)10(15)8-3-9(14)12-5-8/h7-8H,3,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).