N,2-dimethylpropanamide

C5H10NO+ — CID 100979034

IUPACN,2-dimethylpropanamide
SMILESCNC(=O)[C+](C)C
InChIInChI=1S/C5H9NO/c1-4(2)5(7)6-3/h1-3H3/p+1
InChIKeyMCMRRTGRZCUIFF-UHFFFAOYSA-O
MW100.14 g/mol
LogP0.35
Rot. Bonds1

About N,2-dimethylpropanamide

N,2-dimethylpropanamide (PubChem CID 100979034) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is N,2-dimethylpropanamide.

Molecular Properties

Compound NameN,2-dimethylpropanamide
PubChem CID100979034
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC NameN,2-dimethylpropanamide
SMILESCNC(=O)[C+](C)C
InChIInChI=1S/C5H9NO/c1-4(2)5(7)6-3/h1-3H3/p+1
InChIKeyMCMRRTGRZCUIFF-UHFFFAOYSA-O
XLogP0.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropanamide?
The IUPAC name of N,2-dimethylpropanamide (CID 100979034) is N,2-dimethylpropanamide.
What is the SMILES notation for N,2-dimethylpropanamide?
The canonical SMILES for N,2-dimethylpropanamide is CNC(=O)[C+](C)C.
What is the InChIKey of N,2-dimethylpropanamide?
The InChIKey is MCMRRTGRZCUIFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h1-3H3/p+1.
What are the key properties of N,2-dimethylpropanamide?
N,2-dimethylpropanamide has a molecular weight of 100.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropanamide is sourced from PubChem (CID 100979034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).