(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide

C14H16N2O3 — CID 99873619

IUPAC(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
SMILESCn1cccc1[C@H](O)CNC(=O)/C=C/c1ccoc1
InChIInChI=1S/C14H16N2O3/c1-16-7-2-3-12(16)13(17)9-15-14(18)5-4-11-6-8-19-10-11/h2-8,10,13,17H,9H2,1H3,(H,15,18)/b5-4+/t13-/m1/s1
InChIKeyZUWQQFSAWNHGRJ-MUBLQREKSA-N
MW260.29 g/mol
LogP1.48
Rot. Bonds5

About (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide

(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide (PubChem CID 99873619) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
PubChem CID99873619
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
SMILESCn1cccc1[C@H](O)CNC(=O)/C=C/c1ccoc1
InChIInChI=1S/C14H16N2O3/c1-16-7-2-3-12(16)13(17)9-15-14(18)5-4-11-6-8-19-10-11/h2-8,10,13,17H,9H2,1H3,(H,15,18)/b5-4+/t13-/m1/s1
InChIKeyZUWQQFSAWNHGRJ-MUBLQREKSA-N
XLogP1.48
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 72717738
3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
CID 171130476
(E)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 91630864
3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
CID 171130531
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
(E)-N-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 99997643
(E)-3-(2-chlorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]prop-2-enamide
CID 86266725
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
CID 2246384
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide
CID 171136921
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 97414006

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide (CID 99873619) is (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide is Cn1cccc1[C@H](O)CNC(=O)/C=C/c1ccoc1.
What is the InChIKey of (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide?
The InChIKey is ZUWQQFSAWNHGRJ-MUBLQREKSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-7-2-3-12(16)13(17)9-15-14(18)5-4-11-6-8-19-10-11/h2-8,10,13,17H,9H2,1H3,(H,15,18)/b5-4+/t13-/m1/s1.
What are the key properties of (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide?
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide has a molecular weight of 260.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 99873619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).