(E)-but-2-enamide;ethane

C8H19NO — CID 145356551

IUPAC(E)-but-2-enamide;ethane
SMILESC/C=C/C(N)=O.CC.CC
InChIInChI=1S/C4H7NO.2C2H6/c1-2-3-4(5)6;2*1-2/h2-3H,1H3,(H2,5,6);2*1-2H3/b3-2+;;
InChIKeyKHQSNNQSQVGZAI-WTVBWJGASA-N
MW145.25 g/mol
LogP2.10
Rot. Bonds1

About (E)-but-2-enamide;ethane

(E)-but-2-enamide;ethane (PubChem CID 145356551) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (E)-but-2-enamide;ethane.

Molecular Properties

Compound Name(E)-but-2-enamide;ethane
PubChem CID145356551
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(E)-but-2-enamide;ethane
SMILESC/C=C/C(N)=O.CC.CC
InChIInChI=1S/C4H7NO.2C2H6/c1-2-3-4(5)6;2*1-2/h2-3H,1H3,(H2,5,6);2*1-2H3/b3-2+;;
InChIKeyKHQSNNQSQVGZAI-WTVBWJGASA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.10
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

(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
but-2-enamide;but-2-enedioic acid
CID 159670404
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
hepta-2,5-dien-4-one
CID 54179619
(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide
CID 89285655
(Z)-2-methyliminopent-3-enamide
CID 126689701
ethyl (E)-but-2-enoate;methanamine
CID 88817268
N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
CID 144985407
(E)-4-bromobut-2-enamide;ethane
CID 145199796
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
ethane;methane;(E)-pent-3-en-2-one
CID 157296022

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enamide;ethane?
The IUPAC name of (E)-but-2-enamide;ethane (CID 145356551) is (E)-but-2-enamide;ethane.
What is the SMILES notation for (E)-but-2-enamide;ethane?
The canonical SMILES for (E)-but-2-enamide;ethane is C/C=C/C(N)=O.CC.CC.
What is the InChIKey of (E)-but-2-enamide;ethane?
The InChIKey is KHQSNNQSQVGZAI-WTVBWJGASA-N. The full InChI is InChI=1S/C4H7NO.2C2H6/c1-2-3-4(5)6;2*1-2/h2-3H,1H3,(H2,5,6);2*1-2H3/b3-2+;;.
What are the key properties of (E)-but-2-enamide;ethane?
(E)-but-2-enamide;ethane has a molecular weight of 145.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enamide;ethane is sourced from PubChem (CID 145356551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).