(E)-N-(2-methylprop-2-enyl)but-2-enamide

C8H13NO — CID 114615984

IUPAC(E)-N-(2-methylprop-2-enyl)but-2-enamide
SMILESC=C(C)CNC(=O)/C=C/C
InChIInChI=1S/C8H13NO/c1-4-5-8(10)9-6-7(2)3/h4-5H,2,6H2,1,3H3,(H,9,10)/b5-4+
InChIKeyZJXKSKKYVXDZKG-SNAWJCMRSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds3

About (E)-N-(2-methylprop-2-enyl)but-2-enamide

(E)-N-(2-methylprop-2-enyl)but-2-enamide (PubChem CID 114615984) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-N-(2-methylprop-2-enyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylprop-2-enyl)but-2-enamide
PubChem CID114615984
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-N-(2-methylprop-2-enyl)but-2-enamide
SMILESC=C(C)CNC(=O)/C=C/C
InChIInChI=1S/C8H13NO/c1-4-5-8(10)9-6-7(2)3/h4-5H,2,6H2,1,3H3,(H,9,10)/b5-4+
InChIKeyZJXKSKKYVXDZKG-SNAWJCMRSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
CID 13405139
n-Butyl-2-propenamide
CID 642908
N-(n-Propyl) acrylamide
CID 114794
2,5-dihydro-1H-pyrrol-2-one
CID 637997
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N-Allylmethacrylamide
CID 75139
N-(2-Methylpropyl)hexa-2,4-dienamide
CID 71375318
3-Methyl-N-2-propyn-1-yl-2-butenamide
CID 10773038
N-Ethyl-2E,4E-hexadienamide
CID 11434990
n-Isobutylacrylamide
CID 17786289
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
(2E,8Z)-N-(3-methylbutyl)deca-2,8-dien-4,6-diynamide
CID 14015852

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylprop-2-enyl)but-2-enamide?
The IUPAC name of (E)-N-(2-methylprop-2-enyl)but-2-enamide (CID 114615984) is (E)-N-(2-methylprop-2-enyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-methylprop-2-enyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-methylprop-2-enyl)but-2-enamide is C=C(C)CNC(=O)/C=C/C.
What is the InChIKey of (E)-N-(2-methylprop-2-enyl)but-2-enamide?
The InChIKey is ZJXKSKKYVXDZKG-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-8(10)9-6-7(2)3/h4-5H,2,6H2,1,3H3,(H,9,10)/b5-4+.
What are the key properties of (E)-N-(2-methylprop-2-enyl)but-2-enamide?
(E)-N-(2-methylprop-2-enyl)but-2-enamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylprop-2-enyl)but-2-enamide is sourced from PubChem (CID 114615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).