N-[(2R)-1-cyanopropan-2-yl]acetamide

C6H10N2O — CID 55299754

IUPACN-[(2R)-1-cyanopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CC#N
InChIInChI=1S/C6H10N2O/c1-5(3-4-7)8-6(2)9/h5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeySQKKFAWCIRGJFY-RXMQYKEDSA-N
MW126.16 g/mol
LogP0.42
Rot. Bonds2

About N-[(2R)-1-cyanopropan-2-yl]acetamide

N-[(2R)-1-cyanopropan-2-yl]acetamide (PubChem CID 55299754) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[(2R)-1-cyanopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-cyanopropan-2-yl]acetamide
PubChem CID55299754
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[(2R)-1-cyanopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CC#N
InChIInChI=1S/C6H10N2O/c1-5(3-4-7)8-6(2)9/h5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeySQKKFAWCIRGJFY-RXMQYKEDSA-N
XLogP0.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyanopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-cyanopropan-2-yl]acetamide (CID 55299754) is N-[(2R)-1-cyanopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-cyanopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-cyanopropan-2-yl]acetamide is CC(=O)N[C@H](C)CC#N.
What is the InChIKey of N-[(2R)-1-cyanopropan-2-yl]acetamide?
The InChIKey is SQKKFAWCIRGJFY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(3-4-7)8-6(2)9/h5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-cyanopropan-2-yl]acetamide?
N-[(2R)-1-cyanopropan-2-yl]acetamide has a molecular weight of 126.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyanopropan-2-yl]acetamide is sourced from PubChem (CID 55299754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).