2-methylpropanamide;pyrrolidine

C8H18N2O — CID 174809960

IUPAC2-methylpropanamide;pyrrolidine
SMILESC1CCNC1.CC(C)C(N)=O
InChIInChI=1S/C4H9NO.C4H9N/c1-3(2)4(5)6;1-2-4-5-3-1/h3H,1-2H3,(H2,5,6);5H,1-4H2
InChIKeyHRPXXLGFBSBHMI-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds1

About 2-methylpropanamide;pyrrolidine

2-methylpropanamide;pyrrolidine (PubChem CID 174809960) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-methylpropanamide;pyrrolidine.

Molecular Properties

Compound Name2-methylpropanamide;pyrrolidine
PubChem CID174809960
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-methylpropanamide;pyrrolidine
SMILESC1CCNC1.CC(C)C(N)=O
InChIInChI=1S/C4H9NO.C4H9N/c1-3(2)4(5)6;1-2-4-5-3-1/h3H,1-2H3,(H2,5,6);5H,1-4H2
InChIKeyHRPXXLGFBSBHMI-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;pyrrolidine?
The IUPAC name of 2-methylpropanamide;pyrrolidine (CID 174809960) is 2-methylpropanamide;pyrrolidine.
What is the SMILES notation for 2-methylpropanamide;pyrrolidine?
The canonical SMILES for 2-methylpropanamide;pyrrolidine is C1CCNC1.CC(C)C(N)=O.
What is the InChIKey of 2-methylpropanamide;pyrrolidine?
The InChIKey is HRPXXLGFBSBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H9N/c1-3(2)4(5)6;1-2-4-5-3-1/h3H,1-2H3,(H2,5,6);5H,1-4H2.
What are the key properties of 2-methylpropanamide;pyrrolidine?
2-methylpropanamide;pyrrolidine has a molecular weight of 158.25 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;pyrrolidine is sourced from PubChem (CID 174809960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).