(E)-3-iodo-N-(2-methylpropyl)but-2-enamide

C8H14INO — CID 118384417

IUPAC(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
SMILESC/C(I)=C\C(=O)NCC(C)C
InChIInChI=1S/C8H14INO/c1-6(2)5-10-8(11)4-7(3)9/h4,6H,5H2,1-3H3,(H,10,11)/b7-4+
InChIKeyDDNNEMLLXNURSY-QPJJXVBHSA-N
MW267.11 g/mol
LogP2.10
Rot. Bonds3

About (E)-3-iodo-N-(2-methylpropyl)but-2-enamide

(E)-3-iodo-N-(2-methylpropyl)but-2-enamide (PubChem CID 118384417) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is (E)-3-iodo-N-(2-methylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
PubChem CID118384417
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
SMILESC/C(I)=C\C(=O)NCC(C)C
InChIInChI=1S/C8H14INO/c1-6(2)5-10-8(11)4-7(3)9/h4,6H,5H2,1-3H3,(H,10,11)/b7-4+
InChIKeyDDNNEMLLXNURSY-QPJJXVBHSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
ethane;N-(2-methylpropyl)acetamide
CID 142232237
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
methyl (E)-4-(2-methylpropylamino)-4-oxobut-2-enoate
CID 44603263
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
3-methyl-2-[(3-methylbut-2-enoylamino)methyl]butanoic acid
CID 65219891
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018
(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide
CID 15416267
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
3-methyl-4-(2-methylpropylamino)hexa-4,5-dien-2-one
CID 176534164

Frequently Asked Questions

What is the IUPAC name of (E)-3-iodo-N-(2-methylpropyl)but-2-enamide?
The IUPAC name of (E)-3-iodo-N-(2-methylpropyl)but-2-enamide (CID 118384417) is (E)-3-iodo-N-(2-methylpropyl)but-2-enamide.
What is the SMILES notation for (E)-3-iodo-N-(2-methylpropyl)but-2-enamide?
The canonical SMILES for (E)-3-iodo-N-(2-methylpropyl)but-2-enamide is C/C(I)=C\C(=O)NCC(C)C.
What is the InChIKey of (E)-3-iodo-N-(2-methylpropyl)but-2-enamide?
The InChIKey is DDNNEMLLXNURSY-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H14INO/c1-6(2)5-10-8(11)4-7(3)9/h4,6H,5H2,1-3H3,(H,10,11)/b7-4+.
What are the key properties of (E)-3-iodo-N-(2-methylpropyl)but-2-enamide?
(E)-3-iodo-N-(2-methylpropyl)but-2-enamide has a molecular weight of 267.11 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-iodo-N-(2-methylpropyl)but-2-enamide is sourced from PubChem (CID 118384417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).