N-but-2-en-2-yl-N-methylacetamide

C7H13NO — CID 123872311

IUPACN-but-2-en-2-yl-N-methylacetamide
SMILESCC=C(C)N(C)C(C)=O
InChIInChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3
InChIKeyAXMVQIJXOWOURR-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.39
Rot. Bonds1

About N-but-2-en-2-yl-N-methylacetamide

N-but-2-en-2-yl-N-methylacetamide (PubChem CID 123872311) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-but-2-en-2-yl-N-methylacetamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N-methylacetamide
PubChem CID123872311
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-but-2-en-2-yl-N-methylacetamide
SMILESCC=C(C)N(C)C(C)=O
InChIInChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3
InChIKeyAXMVQIJXOWOURR-UHFFFAOYSA-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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Related Compounds

3-[but-2-en-2-yl(methyl)amino]but-3-en-2-one
CID 123247186
N-acetyl-N-but-2-en-2-ylacetamide
CID 54446052
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
CID 143409642
N,N-bis(prop-1-enyl)acetamide
CID 85447022
azane;N,N-dimethylacetamide
CID 161145572
N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
CID 142965256
N-acetyl-N-methylpropanamide;ethane
CID 143328121
N,N-dimethylacetamide;molecular iodine
CID 158534416
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N,N-dimethylacetamide;formaldehyde
CID 54040691

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N-methylacetamide?
The IUPAC name of N-but-2-en-2-yl-N-methylacetamide (CID 123872311) is N-but-2-en-2-yl-N-methylacetamide.
What is the SMILES notation for N-but-2-en-2-yl-N-methylacetamide?
The canonical SMILES for N-but-2-en-2-yl-N-methylacetamide is CC=C(C)N(C)C(C)=O.
What is the InChIKey of N-but-2-en-2-yl-N-methylacetamide?
The InChIKey is AXMVQIJXOWOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3.
What are the key properties of N-but-2-en-2-yl-N-methylacetamide?
N-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-but-2-en-2-yl-N-methylacetamide is sourced from PubChem (CID 123872311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).