2-methylpropanamide;dihydrate

C4H13NO3 — CID 19043645

IUPAC2-methylpropanamide;dihydrate
SMILESCC(C)C(N)=O.O.O
InChIInChI=1S/C4H9NO.2H2O/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);2*1H2
InChIKeyPDYXVZHOLWKKTM-UHFFFAOYSA-N
MW123.15 g/mol
LogP-1.52
Rot. Bonds1

About 2-methylpropanamide;dihydrate

2-methylpropanamide;dihydrate (PubChem CID 19043645) has the molecular formula C4H13NO3 and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methylpropanamide;dihydrate.

Molecular Properties

Compound Name2-methylpropanamide;dihydrate
PubChem CID19043645
Molecular FormulaC4H13NO3
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name2-methylpropanamide;dihydrate
SMILESCC(C)C(N)=O.O.O
InChIInChI=1S/C4H9NO.2H2O/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);2*1H2
InChIKeyPDYXVZHOLWKKTM-UHFFFAOYSA-N
XLogP-1.52
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;dihydrate?
The IUPAC name of 2-methylpropanamide;dihydrate (CID 19043645) is 2-methylpropanamide;dihydrate.
What is the SMILES notation for 2-methylpropanamide;dihydrate?
The canonical SMILES for 2-methylpropanamide;dihydrate is CC(C)C(N)=O.O.O.
What is the InChIKey of 2-methylpropanamide;dihydrate?
The InChIKey is PDYXVZHOLWKKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.2H2O/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);2*1H2.
What are the key properties of 2-methylpropanamide;dihydrate?
2-methylpropanamide;dihydrate has a molecular weight of 123.15 g/mol, XLogP of -1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;dihydrate is sourced from PubChem (CID 19043645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).