5-amino-5-phenylmethoxyoxolan-2-one

C11H13NO3 — CID 18469009

IUPAC5-amino-5-phenylmethoxyoxolan-2-one
SMILESNC1(OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C11H13NO3/c12-11(7-6-10(13)15-11)14-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKeyWJXAJRLHIAUOLU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.15
Rot. Bonds3

About 5-amino-5-phenylmethoxyoxolan-2-one

5-amino-5-phenylmethoxyoxolan-2-one (PubChem CID 18469009) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-amino-5-phenylmethoxyoxolan-2-one.

Molecular Properties

Compound Name5-amino-5-phenylmethoxyoxolan-2-one
PubChem CID18469009
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-amino-5-phenylmethoxyoxolan-2-one
SMILESNC1(OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C11H13NO3/c12-11(7-6-10(13)15-11)14-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKeyWJXAJRLHIAUOLU-UHFFFAOYSA-N
XLogP1.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-oxo-2-phenylmethoxyoxolane-2-carboxamide
CID 18468992
(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10513737
benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 165343304
benzyl 2-(4-methoxyphenyl)sulfanyl-5-oxooxolane-2-carboxylate
CID 14477537
[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl octanoate
CID 155395352
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
CID 18005860
2,2-dimethylpropanoyl chloride;5-(hydroxymethyl)-5-(phenylmethoxymethyl)oxolan-2-one;[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 162081901
3,4-dihydropyran-2-one;phenylmethoxymethylbenzene
CID 70150314
6,6-diphenyloxan-2-one
CID 14144368
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
CID 15054377
(3-phenylmethoxyoxolan-3-yl)methanamine
CID 115025185

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-phenylmethoxyoxolan-2-one?
The IUPAC name of 5-amino-5-phenylmethoxyoxolan-2-one (CID 18469009) is 5-amino-5-phenylmethoxyoxolan-2-one.
What is the SMILES notation for 5-amino-5-phenylmethoxyoxolan-2-one?
The canonical SMILES for 5-amino-5-phenylmethoxyoxolan-2-one is NC1(OCc2ccccc2)CCC(=O)O1.
What is the InChIKey of 5-amino-5-phenylmethoxyoxolan-2-one?
The InChIKey is WJXAJRLHIAUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(7-6-10(13)15-11)14-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2.
What are the key properties of 5-amino-5-phenylmethoxyoxolan-2-one?
5-amino-5-phenylmethoxyoxolan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-phenylmethoxyoxolan-2-one is sourced from PubChem (CID 18469009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).