3-methyl-N-prop-2-enylbutanamide

C8H15NO — CID 4070754

IUPAC3-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)C
InChIInChI=1S/C8H15NO/c1-4-5-9-8(10)6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyQXZMWAQAPZUTSD-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds4

About 3-methyl-N-prop-2-enylbutanamide

3-methyl-N-prop-2-enylbutanamide (PubChem CID 4070754) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-enylbutanamide
PubChem CID4070754
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)C
InChIInChI=1S/C8H15NO/c1-4-5-9-8(10)6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyQXZMWAQAPZUTSD-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 3-methyl-N-prop-2-enylbutanamide (CID 4070754) is 3-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 3-methyl-N-prop-2-enylbutanamide is C=CCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-prop-2-enylbutanamide?
The InChIKey is QXZMWAQAPZUTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-9-8(10)6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 3-methyl-N-prop-2-enylbutanamide?
3-methyl-N-prop-2-enylbutanamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 4070754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).