N-methylbut-3-enamide

C5H9NO — CID 13113546

IUPACN-methylbut-3-enamide
SMILESC=CCC(=O)NC
InChIInChI=1S/C5H9NO/c1-3-4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyLRSCEVQEEBMAHN-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.31
Rot. Bonds2

About N-methylbut-3-enamide

N-methylbut-3-enamide (PubChem CID 13113546) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-methylbut-3-enamide.

Molecular Properties

Compound NameN-methylbut-3-enamide
PubChem CID13113546
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-methylbut-3-enamide
SMILESC=CCC(=O)NC
InChIInChI=1S/C5H9NO/c1-3-4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyLRSCEVQEEBMAHN-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
N-hydroxybut-3-enamide
CID 11804686
N-methylpropanamide;prop-2-en-1-ol
CID 174821001
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
N-methylpenta-1,4-dien-2-amine
CID 144973038
nona-1,8-diene-4,6-dione
CID 88861984
(213C)pent-4-en-2-one
CID 173180315
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
N-(2-aminopropyl)but-3-enamide
CID 63731694
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
N,N'-dimethylheptanediamide
CID 15166696
N-[(2R)-1-hydroxybutan-2-yl]but-3-enamide
CID 104868905

Frequently Asked Questions

What is the IUPAC name of N-methylbut-3-enamide?
The IUPAC name of N-methylbut-3-enamide (CID 13113546) is N-methylbut-3-enamide.
What is the SMILES notation for N-methylbut-3-enamide?
The canonical SMILES for N-methylbut-3-enamide is C=CCC(=O)NC.
What is the InChIKey of N-methylbut-3-enamide?
The InChIKey is LRSCEVQEEBMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7).
What are the key properties of N-methylbut-3-enamide?
N-methylbut-3-enamide has a molecular weight of 99.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-3-enamide is sourced from PubChem (CID 13113546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).