2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide

C9H14N2O — CID 131131939

IUPAC2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(C)C#N
InChIInChI=1S/C9H14N2O/c1-3-7-4-8(7)11-9(12)6(2)5-10/h6-8H,3-4H2,1-2H3,(H,11,12)/t6?,7-,8-/m1/s1
InChIKeyNPJSGIPLICQGBU-SPDVFEMOSA-N
MW166.22 g/mol
LogP1.06
Rot. Bonds3

About 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide

2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide (PubChem CID 131131939) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
PubChem CID131131939
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(C)C#N
InChIInChI=1S/C9H14N2O/c1-3-7-4-8(7)11-9(12)6(2)5-10/h6-8H,3-4H2,1-2H3,(H,11,12)/t6?,7-,8-/m1/s1
InChIKeyNPJSGIPLICQGBU-SPDVFEMOSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide?
The IUPAC name of 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide (CID 131131939) is 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide.
What is the SMILES notation for 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide?
The canonical SMILES for 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide is CC[C@@H]1C[C@H]1NC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide?
The InChIKey is NPJSGIPLICQGBU-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-4-8(7)11-9(12)6(2)5-10/h6-8H,3-4H2,1-2H3,(H,11,12)/t6?,7-,8-/m1/s1.
What are the key properties of 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide?
2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide has a molecular weight of 166.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide is sourced from PubChem (CID 131131939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).