N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide

C9H14N2O2 — CID 130710840

IUPACN-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESC[C@H](C#N)NC(=O)C[C@H]1CCOC1
InChIInChI=1S/C9H14N2O2/c1-7(5-10)11-9(12)4-8-2-3-13-6-8/h7-8H,2-4,6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeySBRRMOISYOBTOS-HTQZYQBOSA-N
MW182.22 g/mol
LogP0.44
Rot. Bonds3

About N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide

N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 130710840) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID130710840
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESC[C@H](C#N)NC(=O)C[C@H]1CCOC1
InChIInChI=1S/C9H14N2O2/c1-7(5-10)11-9(12)4-8-2-3-13-6-8/h7-8H,2-4,6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeySBRRMOISYOBTOS-HTQZYQBOSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide (CID 130710840) is N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide is C[C@H](C#N)NC(=O)C[C@H]1CCOC1.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is SBRRMOISYOBTOS-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(5-10)11-9(12)4-8-2-3-13-6-8/h7-8H,2-4,6H2,1H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide?
N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 182.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 130710840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).