N-[(E)-prop-1-enyl]acetamide

C5H9NO — CID 11804682

IUPACN-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/NC(C)=O
InChIInChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyMUCPRRDAVFMYOG-ONEGZZNKSA-N
MW99.13 g/mol
LogP0.66
Rot. Bonds1

About N-[(E)-prop-1-enyl]acetamide

N-[(E)-prop-1-enyl]acetamide (PubChem CID 11804682) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-[(E)-prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-prop-1-enyl]acetamide
PubChem CID11804682
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/NC(C)=O
InChIInChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyMUCPRRDAVFMYOG-ONEGZZNKSA-N
XLogP0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-prop-1-enyl]acetamide?
The IUPAC name of N-[(E)-prop-1-enyl]acetamide (CID 11804682) is N-[(E)-prop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-prop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-prop-1-enyl]acetamide is C/C=C/NC(C)=O.
What is the InChIKey of N-[(E)-prop-1-enyl]acetamide?
The InChIKey is MUCPRRDAVFMYOG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3-4H,1-2H3,(H,6,7)/b4-3+.
What are the key properties of N-[(E)-prop-1-enyl]acetamide?
N-[(E)-prop-1-enyl]acetamide has a molecular weight of 99.13 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enyl]acetamide is sourced from PubChem (CID 11804682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).