(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide

C11H15NO3 — CID 43416620

IUPAC(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H15NO3/c1-2-9(8-13)12-11(14)6-5-10-4-3-7-15-10/h3-7,9,13H,2,8H2,1H3,(H,12,14)/b6-5+
InChIKeyQLJZYJFDQPMHAW-AATRIKPKSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide (PubChem CID 43416620) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
PubChem CID43416620
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H15NO3/c1-2-9(8-13)12-11(14)6-5-10-4-3-7-15-10/h3-7,9,13H,2,8H2,1H3,(H,12,14)/b6-5+
InChIKeyQLJZYJFDQPMHAW-AATRIKPKSA-N
XLogP1.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-3-(furan-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 113246886
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(2-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93040792
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide (CID 43416620) is (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide is CCC(CO)NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide?
The InChIKey is QLJZYJFDQPMHAW-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-9(8-13)12-11(14)6-5-10-4-3-7-15-10/h3-7,9,13H,2,8H2,1H3,(H,12,14)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide has a molecular weight of 209.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 43416620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).