N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide

C11H17N3O2 — CID 167482147

IUPACN-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
SMILESCC(=O)NC(C#N)CC1CC(C)(C)NC1=O
InChIInChI=1S/C11H17N3O2/c1-7(15)13-9(6-12)4-8-5-11(2,3)14-10(8)16/h8-9H,4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyVAVLNNYEYJGPCX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.32
Rot. Bonds3

About N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide

N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide (PubChem CID 167482147) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
PubChem CID167482147
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
SMILESCC(=O)NC(C#N)CC1CC(C)(C)NC1=O
InChIInChI=1S/C11H17N3O2/c1-7(15)13-9(6-12)4-8-5-11(2,3)14-10(8)16/h8-9H,4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyVAVLNNYEYJGPCX-UHFFFAOYSA-N
XLogP0.32
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide?
The IUPAC name of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide (CID 167482147) is N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide is CC(=O)NC(C#N)CC1CC(C)(C)NC1=O.
What is the InChIKey of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide?
The InChIKey is VAVLNNYEYJGPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(15)13-9(6-12)4-8-5-11(2,3)14-10(8)16/h8-9H,4-5H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide?
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 167482147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).