(3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one

C19H19NO3 — CID 102266195

IUPAC(3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one
SMILESN/C(=C1\CC(COCc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C19H19NO3/c20-18(15-9-5-2-6-10-15)17-11-16(23-19(17)21)13-22-12-14-7-3-1-4-8-14/h1-10,16H,11-13,20H2/b18-17+
InChIKeyAFBNJNUGAHWVRF-ISLYRVAYSA-N
MW309.37 g/mol
LogP2.89
Rot. Bonds5

About (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one

(3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 102266195) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID102266195
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one
SMILESN/C(=C1\CC(COCc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C19H19NO3/c20-18(15-9-5-2-6-10-15)17-11-16(23-19(17)21)13-22-12-14-7-3-1-4-8-14/h1-10,16H,11-13,20H2/b18-17+
InChIKeyAFBNJNUGAHWVRF-ISLYRVAYSA-N
XLogP2.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2R)-4-phenyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 14667648
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
(3Z)-3-(1-hydroxyhexadecylidene)-6-(phenylmethoxymethyl)oxane-2,4-dione
CID 118737611
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
(2R)-4-chloro-5-fluoro-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 101027605
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-one
CID 15893535
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(4S,6R)-4-ethenyl-6-(phenylmethoxymethyl)oxan-2-one
CID 14667665

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one (CID 102266195) is (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one is N/C(=C1\CC(COCc2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is AFBNJNUGAHWVRF-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H19NO3/c20-18(15-9-5-2-6-10-15)17-11-16(23-19(17)21)13-22-12-14-7-3-1-4-8-14/h1-10,16H,11-13,20H2/b18-17+.
What are the key properties of (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one?
(3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[amino(phenyl)methylidene]-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 102266195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).