4-(aminomethyl)oxolan-2-one;hydrochloride

C5H10ClNO2 — CID 14761838

IUPAC4-(aminomethyl)oxolan-2-one;hydrochloride
SMILESCl.NCC1COC(=O)C1
InChIInChI=1S/C5H9NO2.ClH/c6-2-4-1-5(7)8-3-4;/h4H,1-3,6H2;1H
InChIKeyUPVUTEJYSADAJR-UHFFFAOYSA-N
MW151.59 g/mol
LogP-0.07
Rot. Bonds1

About 4-(aminomethyl)oxolan-2-one;hydrochloride

4-(aminomethyl)oxolan-2-one;hydrochloride (PubChem CID 14761838) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 4-(aminomethyl)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)oxolan-2-one;hydrochloride
PubChem CID14761838
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name4-(aminomethyl)oxolan-2-one;hydrochloride
SMILESCl.NCC1COC(=O)C1
InChIInChI=1S/C5H9NO2.ClH/c6-2-4-1-5(7)8-3-4;/h4H,1-3,6H2;1H
InChIKeyUPVUTEJYSADAJR-UHFFFAOYSA-N
XLogP-0.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)oxolan-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)oxolan-2-one;hydrochloride (CID 14761838) is 4-(aminomethyl)oxolan-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)oxolan-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)oxolan-2-one;hydrochloride is Cl.NCC1COC(=O)C1.
What is the InChIKey of 4-(aminomethyl)oxolan-2-one;hydrochloride?
The InChIKey is UPVUTEJYSADAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c6-2-4-1-5(7)8-3-4;/h4H,1-3,6H2;1H.
What are the key properties of 4-(aminomethyl)oxolan-2-one;hydrochloride?
4-(aminomethyl)oxolan-2-one;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)oxolan-2-one;hydrochloride is sourced from PubChem (CID 14761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).