(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide

C13H13NO4 — CID 102453318

IUPAC(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NC1CCOC1=O
InChIInChI=1S/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+
InChIKeyCCIXZFJYFQJTGK-ZZXKWVIFSA-N
MW247.25 g/mol
LogP0.84
Rot. Bonds3

About (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 102453318) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide
PubChem CID102453318
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NC1CCOC1=O
InChIInChI=1S/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+
InChIKeyCCIXZFJYFQJTGK-ZZXKWVIFSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.84
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-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110079
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenoxy]-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 155519076
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 18192972
ethyl (E)-4-oxo-4-[[(3R)-2-oxooxolan-3-yl]amino]but-2-enoate
CID 59127515
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
2-cyclopropyl-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]acetic acid
CID 76954414
N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 77109535
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide (CID 102453318) is (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide is O=C(/C=C/c1ccc(O)cc1)NC1CCOC1=O.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is CCIXZFJYFQJTGK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide has a molecular weight of 247.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 102453318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).