2-methyl-N-prop-1-enylpropanamide

C7H13NO — CID 74003978

IUPAC2-methyl-N-prop-1-enylpropanamide
SMILESCC=CNC(=O)C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)
InChIKeyNHNIUBAYYRGBNU-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-N-prop-1-enylpropanamide

2-methyl-N-prop-1-enylpropanamide (PubChem CID 74003978) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-N-prop-1-enylpropanamide.

Molecular Properties

Compound Name2-methyl-N-prop-1-enylpropanamide
PubChem CID74003978
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-N-prop-1-enylpropanamide
SMILESCC=CNC(=O)C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)
InChIKeyNHNIUBAYYRGBNU-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-1-enylpropanamide?
The IUPAC name of 2-methyl-N-prop-1-enylpropanamide (CID 74003978) is 2-methyl-N-prop-1-enylpropanamide.
What is the SMILES notation for 2-methyl-N-prop-1-enylpropanamide?
The canonical SMILES for 2-methyl-N-prop-1-enylpropanamide is CC=CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-prop-1-enylpropanamide?
The InChIKey is NHNIUBAYYRGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9).
What are the key properties of 2-methyl-N-prop-1-enylpropanamide?
2-methyl-N-prop-1-enylpropanamide has a molecular weight of 127.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-1-enylpropanamide is sourced from PubChem (CID 74003978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).