1,3-dioxonan-2-one;ethyl carbamate;urea

C11H23N3O6 — CID 155436579

IUPAC1,3-dioxonan-2-one;ethyl carbamate;urea
SMILESCCOC(N)=O.NC(N)=O.O=C1OCCCCCCO1
InChIInChI=1S/C7H12O3.C3H7NO2.CH4N2O/c8-7-9-5-3-1-2-4-6-10-7;1-2-6-3(4)5;2-1(3)4/h1-6H2;2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyMYTVBPBUTUZJHF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.84
Rot. Bonds1

About 1,3-dioxonan-2-one;ethyl carbamate;urea

1,3-dioxonan-2-one;ethyl carbamate;urea (PubChem CID 155436579) has the molecular formula C11H23N3O6 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1,3-dioxonan-2-one;ethyl carbamate;urea.

Molecular Properties

Compound Name1,3-dioxonan-2-one;ethyl carbamate;urea
PubChem CID155436579
Molecular FormulaC11H23N3O6
Molecular Weight293.32 g/mol
Exact Mass293.16
IUPAC Name1,3-dioxonan-2-one;ethyl carbamate;urea
SMILESCCOC(N)=O.NC(N)=O.O=C1OCCCCCCO1
InChIInChI=1S/C7H12O3.C3H7NO2.CH4N2O/c8-7-9-5-3-1-2-4-6-10-7;1-2-6-3(4)5;2-1(3)4/h1-6H2;2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyMYTVBPBUTUZJHF-UHFFFAOYSA-N
XLogP0.84
TPSA156.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl carbamate
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ethyl carbamate
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ethyl carbamate
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1,3-dioxacyclotetradecan-2-one
CID 22011560
1,5-dioxecane-2,4-dione;ethyl hydrogen carbonate
CID 174534052
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
ethyl carbamate;platinum
CID 174699937
1,3,8,10-tetraoxacyclotetradecane-2,9-dione
CID 67254769
ethyl carbamate;propanoic acid
CID 158069728
ethyl carbamate;oxotitanium
CID 174887508
CID 173388727
CID 173388727

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxonan-2-one;ethyl carbamate;urea?
The IUPAC name of 1,3-dioxonan-2-one;ethyl carbamate;urea (CID 155436579) is 1,3-dioxonan-2-one;ethyl carbamate;urea.
What is the SMILES notation for 1,3-dioxonan-2-one;ethyl carbamate;urea?
The canonical SMILES for 1,3-dioxonan-2-one;ethyl carbamate;urea is CCOC(N)=O.NC(N)=O.O=C1OCCCCCCO1.
What is the InChIKey of 1,3-dioxonan-2-one;ethyl carbamate;urea?
The InChIKey is MYTVBPBUTUZJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H7NO2.CH4N2O/c8-7-9-5-3-1-2-4-6-10-7;1-2-6-3(4)5;2-1(3)4/h1-6H2;2H2,1H3,(H2,4,5);(H4,2,3,4).
What are the key properties of 1,3-dioxonan-2-one;ethyl carbamate;urea?
1,3-dioxonan-2-one;ethyl carbamate;urea has a molecular weight of 293.32 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxonan-2-one;ethyl carbamate;urea is sourced from PubChem (CID 155436579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).