2,2-dimethyl-N-prop-2-enylpropanamide

C8H15NO — CID 4172620

IUPAC2,2-dimethyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-9-7(10)8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyAPKUMLNCMNDKMR-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds2

About 2,2-dimethyl-N-prop-2-enylpropanamide

2,2-dimethyl-N-prop-2-enylpropanamide (PubChem CID 4172620) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-enylpropanamide
PubChem CID4172620
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2-dimethyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-9-7(10)8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyAPKUMLNCMNDKMR-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2,2-dimethyl-N-prop-2-enylpropanamide?
The IUPAC name of 2,2-dimethyl-N-prop-2-enylpropanamide (CID 4172620) is 2,2-dimethyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-prop-2-enylpropanamide?
The InChIKey is APKUMLNCMNDKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-9-7(10)8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10).
What are the key properties of 2,2-dimethyl-N-prop-2-enylpropanamide?
2,2-dimethyl-N-prop-2-enylpropanamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 4172620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).