N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide

C8H12N2O2 — CID 43558923

IUPACN-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide
SMILESCC(C#N)(NC(=O)CO)C1CC1
InChIInChI=1S/C8H12N2O2/c1-8(5-9,6-2-3-6)10-7(12)4-11/h6,11H,2-4H2,1H3,(H,10,12)
InChIKeyBAFMKXFOIKNCPQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.21
Rot. Bonds3

About N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide

N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide (PubChem CID 43558923) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide
PubChem CID43558923
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide
SMILESCC(C#N)(NC(=O)CO)C1CC1
InChIInChI=1S/C8H12N2O2/c1-8(5-9,6-2-3-6)10-7(12)4-11/h6,11H,2-4H2,1H3,(H,10,12)
InChIKeyBAFMKXFOIKNCPQ-UHFFFAOYSA-N
XLogP-0.21
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide (CID 43558923) is N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide is CC(C#N)(NC(=O)CO)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide?
The InChIKey is BAFMKXFOIKNCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(5-9,6-2-3-6)10-7(12)4-11/h6,11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide?
N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide has a molecular weight of 168.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide is sourced from PubChem (CID 43558923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).