(E)-N-methyl-N-(3-oxobutyl)but-2-enamide

C9H15NO2 — CID 102410290

IUPAC(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
SMILESC/C=C/C(=O)N(C)CCC(C)=O
InChIInChI=1S/C9H15NO2/c1-4-5-9(12)10(3)7-6-8(2)11/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyFFEWZDQMCDJMLV-SNAWJCMRSA-N
MW169.22 g/mol
LogP1.00
Rot. Bonds4

About (E)-N-methyl-N-(3-oxobutyl)but-2-enamide

(E)-N-methyl-N-(3-oxobutyl)but-2-enamide (PubChem CID 102410290) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-N-methyl-N-(3-oxobutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
PubChem CID102410290
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
SMILESC/C=C/C(=O)N(C)CCC(C)=O
InChIInChI=1S/C9H15NO2/c1-4-5-9(12)10(3)7-6-8(2)11/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyFFEWZDQMCDJMLV-SNAWJCMRSA-N
XLogP1.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-but-2-enoyl]-methylamino]butanoic acid
CID 43151833
(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
CID 143271127
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531
(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
CID 176580093
(E)-N-(3-oxobutyl)-N-phenylbut-2-enamide
CID 102410288
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380
methane;(E)-oct-6-ene-2,5-dione
CID 159043306
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
(Z)-N-formyl-N-(6-oxoheptyl)but-2-enamide
CID 142430846
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
CID 110481075

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(3-oxobutyl)but-2-enamide?
The IUPAC name of (E)-N-methyl-N-(3-oxobutyl)but-2-enamide (CID 102410290) is (E)-N-methyl-N-(3-oxobutyl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-(3-oxobutyl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-N-(3-oxobutyl)but-2-enamide is C/C=C/C(=O)N(C)CCC(C)=O.
What is the InChIKey of (E)-N-methyl-N-(3-oxobutyl)but-2-enamide?
The InChIKey is FFEWZDQMCDJMLV-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-9(12)10(3)7-6-8(2)11/h4-5H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-N-methyl-N-(3-oxobutyl)but-2-enamide?
(E)-N-methyl-N-(3-oxobutyl)but-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(3-oxobutyl)but-2-enamide is sourced from PubChem (CID 102410290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).