2-methyl-N-prop-2-enylpropanamide

C7H13NO — CID 4070749

IUPAC2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyKCDIHKAXKRTRMU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.94
Rot. Bonds3

About 2-methyl-N-prop-2-enylpropanamide

2-methyl-N-prop-2-enylpropanamide (PubChem CID 4070749) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropanamide
PubChem CID4070749
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyKCDIHKAXKRTRMU-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.94
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-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-methyl-N-prop-2-enylpropanamide (CID 4070749) is 2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpropanamide?
The InChIKey is KCDIHKAXKRTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of 2-methyl-N-prop-2-enylpropanamide?
2-methyl-N-prop-2-enylpropanamide has a molecular weight of 127.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 4070749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).