N-[(1S,2R)-2-cyanocyclopentyl]acetamide

C8H12N2O — CID 90022272

IUPACN-[(1S,2R)-2-cyanocyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CCC[C@H]1C#N
InChIInChI=1S/C8H12N2O/c1-6(11)10-8-4-2-3-7(8)5-9/h7-8H,2-4H2,1H3,(H,10,11)/t7-,8-/m0/s1
InChIKeyNEORZCJQXPTQBK-YUMQZZPRSA-N
MW152.20 g/mol
LogP0.81
Rot. Bonds1

About N-[(1S,2R)-2-cyanocyclopentyl]acetamide

N-[(1S,2R)-2-cyanocyclopentyl]acetamide (PubChem CID 90022272) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(1S,2R)-2-cyanocyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-cyanocyclopentyl]acetamide
PubChem CID90022272
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(1S,2R)-2-cyanocyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CCC[C@H]1C#N
InChIInChI=1S/C8H12N2O/c1-6(11)10-8-4-2-3-7(8)5-9/h7-8H,2-4H2,1H3,(H,10,11)/t7-,8-/m0/s1
InChIKeyNEORZCJQXPTQBK-YUMQZZPRSA-N
XLogP0.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-cyanocyclopentyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-cyanocyclopentyl]acetamide (CID 90022272) is N-[(1S,2R)-2-cyanocyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-cyanocyclopentyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-cyanocyclopentyl]acetamide is CC(=O)N[C@H]1CCC[C@H]1C#N.
What is the InChIKey of N-[(1S,2R)-2-cyanocyclopentyl]acetamide?
The InChIKey is NEORZCJQXPTQBK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(11)10-8-4-2-3-7(8)5-9/h7-8H,2-4H2,1H3,(H,10,11)/t7-,8-/m0/s1.
What are the key properties of N-[(1S,2R)-2-cyanocyclopentyl]acetamide?
N-[(1S,2R)-2-cyanocyclopentyl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-cyanocyclopentyl]acetamide is sourced from PubChem (CID 90022272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).