(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide

C11H14INO2 — CID 47097582

IUPAC(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESCCC(C)NC(=O)/C=C/c1ccc(I)o1
InChIInChI=1S/C11H14INO2/c1-3-8(2)13-11(14)7-5-9-4-6-10(12)15-9/h4-8H,3H2,1-2H3,(H,13,14)/b7-5+
InChIKeyGULKJNHQIIHHRO-FNORWQNLSA-N
MW319.14 g/mol
LogP2.81
Rot. Bonds4

About (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide

(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide (PubChem CID 47097582) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
PubChem CID47097582
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESCCC(C)NC(=O)/C=C/c1ccc(I)o1
InChIInChI=1S/C11H14INO2/c1-3-8(2)13-11(14)7-5-9-4-6-10(12)15-9/h4-8H,3H2,1-2H3,(H,13,14)/b7-5+
InChIKeyGULKJNHQIIHHRO-FNORWQNLSA-N
XLogP2.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(5-iodofuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 78773568
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 134015908
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034315

Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide (CID 47097582) is (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide is CCC(C)NC(=O)/C=C/c1ccc(I)o1.
What is the InChIKey of (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide?
The InChIKey is GULKJNHQIIHHRO-FNORWQNLSA-N. The full InChI is InChI=1S/C11H14INO2/c1-3-8(2)13-11(14)7-5-9-4-6-10(12)15-9/h4-8H,3H2,1-2H3,(H,13,14)/b7-5+.
What are the key properties of (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide?
(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide has a molecular weight of 319.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 47097582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).