(4-aminooxolan-3-yl)-phenylmethanone;hydrochloride

C11H14ClNO2 — CID 167994849

IUPAC(4-aminooxolan-3-yl)-phenylmethanone;hydrochloride
SMILESCl.NC1COCC1C(=O)c1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,12H2;1H
InChIKeyIFXUHQOYYDUGST-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.26
Rot. Bonds2

About (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride

(4-aminooxolan-3-yl)-phenylmethanone;hydrochloride (PubChem CID 167994849) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-phenylmethanone;hydrochloride
PubChem CID167994849
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(4-aminooxolan-3-yl)-phenylmethanone;hydrochloride
SMILESCl.NC1COCC1C(=O)c1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,12H2;1H
InChIKeyIFXUHQOYYDUGST-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride?
The IUPAC name of (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride (CID 167994849) is (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride?
The canonical SMILES for (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride is Cl.NC1COCC1C(=O)c1ccccc1.
What is the InChIKey of (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride?
The InChIKey is IFXUHQOYYDUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,12H2;1H.
What are the key properties of (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride?
(4-aminooxolan-3-yl)-phenylmethanone;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 167994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).