N-[(E)-3-methylbut-1-enyl]acetamide

C7H13NO — CID 12626390

IUPACN-[(E)-3-methylbut-1-enyl]acetamide
SMILESCC(=O)N/C=C/C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)4-5-8-7(3)9/h4-6H,1-3H3,(H,8,9)/b5-4+
InChIKeyAZIXRESYCFVBST-SNAWJCMRSA-N
MW127.19 g/mol
LogP1.29
Rot. Bonds2

About N-[(E)-3-methylbut-1-enyl]acetamide

N-[(E)-3-methylbut-1-enyl]acetamide (PubChem CID 12626390) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(E)-3-methylbut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-methylbut-1-enyl]acetamide
PubChem CID12626390
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-[(E)-3-methylbut-1-enyl]acetamide
SMILESCC(=O)N/C=C/C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)4-5-8-7(3)9/h4-6H,1-3H3,(H,8,9)/b5-4+
InChIKeyAZIXRESYCFVBST-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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Related Compounds

N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide
CID 162037101
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
1-(2-chloroethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910974
N-[(Z)-2-chloroethenyl]acetamide
CID 55298580
silver (E)-2-acetamidoethenethiolate
CID 12620554
N-[(E)-3-oxoprop-1-enyl]acetamide
CID 12509734
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
N-[(Z)-2-hydroxyprop-1-enyl]acetamide
CID 154518387
4-[[(E)-3-methylbut-1-enyl]amino]-4-oxobutanoic acid;N'-[(E)-3-methylbut-1-enyl]butanediamide
CID 159713108
(E)-3-acetamido-N,N-dimethylprop-2-enamide
CID 131238300
1-[1-(1-adamantyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108910942
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylbut-1-enyl]acetamide?
The IUPAC name of N-[(E)-3-methylbut-1-enyl]acetamide (CID 12626390) is N-[(E)-3-methylbut-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-methylbut-1-enyl]acetamide?
The canonical SMILES for N-[(E)-3-methylbut-1-enyl]acetamide is CC(=O)N/C=C/C(C)C.
What is the InChIKey of N-[(E)-3-methylbut-1-enyl]acetamide?
The InChIKey is AZIXRESYCFVBST-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)4-5-8-7(3)9/h4-6H,1-3H3,(H,8,9)/b5-4+.
What are the key properties of N-[(E)-3-methylbut-1-enyl]acetamide?
N-[(E)-3-methylbut-1-enyl]acetamide 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 N-[(E)-3-methylbut-1-enyl]acetamide is sourced from PubChem (CID 12626390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).