N-[(E)-but-2-en-2-yl]-N-methylacetamide

C7H13NO — CID 126747860

IUPACN-[(E)-but-2-en-2-yl]-N-methylacetamide
SMILESC/C=C(\C)N(C)C(C)=O
InChIInChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3/b6-5+
InChIKeyAXMVQIJXOWOURR-AATRIKPKSA-N
MW127.19 g/mol
LogP1.39
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]-N-methylacetamide

N-[(E)-but-2-en-2-yl]-N-methylacetamide (PubChem CID 126747860) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N-methylacetamide
PubChem CID126747860
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-[(E)-but-2-en-2-yl]-N-methylacetamide
SMILESC/C=C(\C)N(C)C(C)=O
InChIInChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3/b6-5+
InChIKeyAXMVQIJXOWOURR-AATRIKPKSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N-methylacetamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N-methylacetamide (CID 126747860) is N-[(E)-but-2-en-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N-methylacetamide is C/C=C(\C)N(C)C(C)=O.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N-methylacetamide?
The InChIKey is AXMVQIJXOWOURR-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3/b6-5+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N-methylacetamide?
N-[(E)-but-2-en-2-yl]-N-methylacetamide has a molecular weight of 127.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N-methylacetamide is sourced from PubChem (CID 126747860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).