(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide

C8H13NO — CID 141238660

IUPAC(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
SMILESC/C=C/NC(=O)/C(C)=C/C
InChIInChI=1S/C8H13NO/c1-4-6-9-8(10)7(3)5-2/h4-6H,1-3H3,(H,9,10)/b6-4+,7-5+
InChIKeyJOJAPAHUSAJTIS-YDFGWWAZSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds2

About (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide

(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide (PubChem CID 141238660) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
PubChem CID141238660
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
SMILESC/C=C/NC(=O)/C(C)=C/C
InChIInChI=1S/C8H13NO/c1-4-6-9-8(10)7(3)5-2/h4-6H,1-3H3,(H,9,10)/b6-4+,7-5+
InChIKeyJOJAPAHUSAJTIS-YDFGWWAZSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-prop-1-enyl]acetamide
CID 5325885
(Z)-N-hydroxy-2-methylbut-2-enamide
CID 123446935
(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide
CID 143664915
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
2-methyl-N-prop-1-enylpropanamide
CID 74003978
S-methyl N-[(E)-prop-1-enyl]carbamothioate
CID 142901647
(2E)-N-[(1E,3E,5Z)-4-chloro-5-methylhepta-1,3,5-trienyl]-2-methylpenta-2,4-dienamide
CID 154932182
1-methylidene-3-[(Z)-prop-1-enyl]urea
CID 142847691
N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide
CID 167072027
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide (CID 141238660) is (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide is C/C=C/NC(=O)/C(C)=C/C.
What is the InChIKey of (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide?
The InChIKey is JOJAPAHUSAJTIS-YDFGWWAZSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-9-8(10)7(3)5-2/h4-6H,1-3H3,(H,9,10)/b6-4+,7-5+.
What are the key properties of (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide?
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide has a molecular weight of 139.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide is sourced from PubChem (CID 141238660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).