(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide

C9H15NO — CID 143664915

IUPAC(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide
SMILESC/C=C(\C)NC(=O)/C(C)=C/C
InChIInChI=1S/C9H15NO/c1-5-7(3)9(11)10-8(4)6-2/h5-6H,1-4H3,(H,10,11)/b7-5+,8-6+
InChIKeyJWDCXOLRJKVLBF-KQQUZDAGSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds2

About (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide

(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide (PubChem CID 143664915) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide
PubChem CID143664915
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide
SMILESC/C=C(\C)NC(=O)/C(C)=C/C
InChIInChI=1S/C9H15NO/c1-5-7(3)9(11)10-8(4)6-2/h5-6H,1-4H3,(H,10,11)/b7-5+,8-6+
InChIKeyJWDCXOLRJKVLBF-KQQUZDAGSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-hydroxy-2-methylbut-2-enamide
CID 123446935
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-methylbut-2-enoic acid;silane
CID 173038853
2-methylbut-2-enoic acid;yttrium
CID 76824008
cyclodecane;methanol;2-methylbut-2-enoic acid
CID 174824435
tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
dimethyl-(2-methylbut-2-enoylamino)-propylazanium
CID 173395662

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide (CID 143664915) is (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide is C/C=C(\C)NC(=O)/C(C)=C/C.
What is the InChIKey of (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide?
The InChIKey is JWDCXOLRJKVLBF-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(3)9(11)10-8(4)6-2/h5-6H,1-4H3,(H,10,11)/b7-5+,8-6+.
What are the key properties of (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide?
(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide is sourced from PubChem (CID 143664915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).