ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea

C11H23N3O6 — CID 175366661

IUPACethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea
SMILESCCCCCC1OC(=O)O1.CCOC(N)=O.NC(N)=O
InChIInChI=1S/C7H12O3.C3H7NO2.CH4N2O/c1-2-3-4-5-6-9-7(8)10-6;1-2-6-3(4)5;2-1(3)4/h6H,2-5H2,1H3;2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyVTKXRIIUDFGOMZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.18
Rot. Bonds5

About ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea

ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea (PubChem CID 175366661) has the molecular formula C11H23N3O6 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea.

Molecular Properties

Compound Nameethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea
PubChem CID175366661
Molecular FormulaC11H23N3O6
Molecular Weight293.32 g/mol
Exact Mass293.16
IUPAC Nameethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea
SMILESCCCCCC1OC(=O)O1.CCOC(N)=O.NC(N)=O
InChIInChI=1S/C7H12O3.C3H7NO2.CH4N2O/c1-2-3-4-5-6-9-7(8)10-6;1-2-6-3(4)5;2-1(3)4/h6H,2-5H2,1H3;2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyVTKXRIIUDFGOMZ-UHFFFAOYSA-N
XLogP1.18
TPSA156.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea?
The IUPAC name of ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea (CID 175366661) is ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea.
What is the SMILES notation for ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea?
The canonical SMILES for ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea is CCCCCC1OC(=O)O1.CCOC(N)=O.NC(N)=O.
What is the InChIKey of ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea?
The InChIKey is VTKXRIIUDFGOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H7NO2.CH4N2O/c1-2-3-4-5-6-9-7(8)10-6;1-2-6-3(4)5;2-1(3)4/h6H,2-5H2,1H3;2H2,1H3,(H2,4,5);(H4,2,3,4).
What are the key properties of ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea?
ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea has a molecular weight of 293.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;4-pentyl-1,3-dioxetan-2-one;urea is sourced from PubChem (CID 175366661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).