3-methylbutanamide

C5H11NO — CID 10930

IUPAC3-methylbutanamide
SMILESCC(C)CC(N)=O
InChIInChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKeySANOUVWGPVYVAV-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.52
Rot. Bonds2

About 3-methylbutanamide

3-methylbutanamide (PubChem CID 10930) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methylbutanamide.

Molecular Properties

Compound Name3-methylbutanamide
PubChem CID10930
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methylbutanamide
SMILESCC(C)CC(N)=O
InChIInChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKeySANOUVWGPVYVAV-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutanamide?
The IUPAC name of 3-methylbutanamide (CID 10930) is 3-methylbutanamide.
What is the SMILES notation for 3-methylbutanamide?
The canonical SMILES for 3-methylbutanamide is CC(C)CC(N)=O.
What is the InChIKey of 3-methylbutanamide?
The InChIKey is SANOUVWGPVYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7).
What are the key properties of 3-methylbutanamide?
3-methylbutanamide has a molecular weight of 101.15 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutanamide is sourced from PubChem (CID 10930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).