5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one

C6H11NO4 — CID 171396492

IUPAC5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one
SMILESO=C1CN(CCO)CCOO1
InChIInChI=1S/C6H11NO4/c8-3-1-7-2-4-10-11-6(9)5-7/h8H,1-5H2
InChIKeyKDDOXCNATFSMKN-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.23
Rot. Bonds2

About 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one

5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one (PubChem CID 171396492) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one
PubChem CID171396492
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one
SMILESO=C1CN(CCO)CCOO1
InChIInChI=1S/C6H11NO4/c8-3-1-7-2-4-10-11-6(9)5-7/h8H,1-5H2
InChIKeyKDDOXCNATFSMKN-UHFFFAOYSA-N
XLogP-1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione
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CID 15006446
4-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 14574145
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
CID 123733558
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4,10-bis(carboxymethyl)-2-oxo-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 118536065
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
2-(2-oxomorpholin-4-yl)ethyl methanesulfonate
CID 15287412
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one?
The IUPAC name of 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one (CID 171396492) is 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one?
The canonical SMILES for 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one is O=C1CN(CCO)CCOO1.
What is the InChIKey of 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one?
The InChIKey is KDDOXCNATFSMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-3-1-7-2-4-10-11-6(9)5-7/h8H,1-5H2.
What are the key properties of 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one?
5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one has a molecular weight of 161.16 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one is sourced from PubChem (CID 171396492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).