2-methyl-N-[(E)-prop-1-enyl]propanamide

C7H13NO — CID 22922654

IUPAC2-methyl-N-[(E)-prop-1-enyl]propanamide
SMILESC/C=C/NC(=O)C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4+
InChIKeyNHNIUBAYYRGBNU-SNAWJCMRSA-N
MW127.19 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-N-[(E)-prop-1-enyl]propanamide

2-methyl-N-[(E)-prop-1-enyl]propanamide (PubChem CID 22922654) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-N-[(E)-prop-1-enyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-prop-1-enyl]propanamide
PubChem CID22922654
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-N-[(E)-prop-1-enyl]propanamide
SMILESC/C=C/NC(=O)C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4+
InChIKeyNHNIUBAYYRGBNU-SNAWJCMRSA-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-[(E)-prop-1-enyl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-prop-1-enyl]propanamide (CID 22922654) is 2-methyl-N-[(E)-prop-1-enyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-prop-1-enyl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-prop-1-enyl]propanamide is C/C=C/NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-prop-1-enyl]propanamide?
The InChIKey is NHNIUBAYYRGBNU-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4+.
What are the key properties of 2-methyl-N-[(E)-prop-1-enyl]propanamide?
2-methyl-N-[(E)-prop-1-enyl]propanamide 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-[(E)-prop-1-enyl]propanamide is sourced from PubChem (CID 22922654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).