3-cyclopropyl-3-methylbutanamide

C8H15NO — CID 119056827

IUPAC3-cyclopropyl-3-methylbutanamide
SMILESCC(C)(CC(N)=O)C1CC1
InChIInChI=1S/C8H15NO/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyVCSPCYBOBPMOJU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.30
Rot. Bonds3

About 3-cyclopropyl-3-methylbutanamide

3-cyclopropyl-3-methylbutanamide (PubChem CID 119056827) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-methylbutanamide
PubChem CID119056827
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-cyclopropyl-3-methylbutanamide
SMILESCC(C)(CC(N)=O)C1CC1
InChIInChI=1S/C8H15NO/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyVCSPCYBOBPMOJU-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methylbutanamide?
The IUPAC name of 3-cyclopropyl-3-methylbutanamide (CID 119056827) is 3-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for 3-cyclopropyl-3-methylbutanamide?
The canonical SMILES for 3-cyclopropyl-3-methylbutanamide is CC(C)(CC(N)=O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-methylbutanamide?
The InChIKey is VCSPCYBOBPMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-cyclopropyl-3-methylbutanamide?
3-cyclopropyl-3-methylbutanamide has a molecular weight of 141.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 119056827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).