3-prop-2-enyl-1,5,3-dioxazepane

C7H13NO2 — CID 15582181

IUPAC3-prop-2-enyl-1,5,3-dioxazepane
SMILESC=CCN1COCCOC1
InChIInChI=1S/C7H13NO2/c1-2-3-8-6-9-4-5-10-7-8/h2H,1,3-7H2
InChIKeyXXFVKTXDOTXPKG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.44
Rot. Bonds2

About 3-prop-2-enyl-1,5,3-dioxazepane

3-prop-2-enyl-1,5,3-dioxazepane (PubChem CID 15582181) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-prop-2-enyl-1,5,3-dioxazepane.

Molecular Properties

Compound Name3-prop-2-enyl-1,5,3-dioxazepane
PubChem CID15582181
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-prop-2-enyl-1,5,3-dioxazepane
SMILESC=CCN1COCCOC1
InChIInChI=1S/C7H13NO2/c1-2-3-8-6-9-4-5-10-7-8/h2H,1,3-7H2
InChIKeyXXFVKTXDOTXPKG-UHFFFAOYSA-N
XLogP0.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173137320
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CID 129141031
3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane
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1-prop-2-enylpyrrolidine-3,4-diol
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2,4,6-tris(prop-2-enyl)morpholine
CID 118117986
oxirane;N-prop-2-enylprop-2-en-1-amine
CID 174833487
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 23760989
(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
CID 145430746
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
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CID 173469900

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1,5,3-dioxazepane?
The IUPAC name of 3-prop-2-enyl-1,5,3-dioxazepane (CID 15582181) is 3-prop-2-enyl-1,5,3-dioxazepane.
What is the SMILES notation for 3-prop-2-enyl-1,5,3-dioxazepane?
The canonical SMILES for 3-prop-2-enyl-1,5,3-dioxazepane is C=CCN1COCCOC1.
What is the InChIKey of 3-prop-2-enyl-1,5,3-dioxazepane?
The InChIKey is XXFVKTXDOTXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-8-6-9-4-5-10-7-8/h2H,1,3-7H2.
What are the key properties of 3-prop-2-enyl-1,5,3-dioxazepane?
3-prop-2-enyl-1,5,3-dioxazepane has a molecular weight of 143.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,5,3-dioxazepane is sourced from PubChem (CID 15582181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).