N-[(2R)-pentan-2-yl]acetamide

C7H15NO — CID 10986246

IUPACN-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-6(2)8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)/t6-/m1/s1
InChIKeyGIJSDXXWCVQKQM-ZCFIWIBFSA-N
MW129.20 g/mol
LogP1.31
Rot. Bonds3

About N-[(2R)-pentan-2-yl]acetamide

N-[(2R)-pentan-2-yl]acetamide (PubChem CID 10986246) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-pentan-2-yl]acetamide
PubChem CID10986246
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-6(2)8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)/t6-/m1/s1
InChIKeyGIJSDXXWCVQKQM-ZCFIWIBFSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of N-[(2R)-pentan-2-yl]acetamide (CID 10986246) is N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(C)=O.
What is the InChIKey of N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is GIJSDXXWCVQKQM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6(2)8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)/t6-/m1/s1.
What are the key properties of N-[(2R)-pentan-2-yl]acetamide?
N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 129.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 10986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).