1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea

C8H16N2O3 — CID 130621364

IUPAC1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
SMILESCCNC(=O)NCC1(C)OCCO1
InChIInChI=1S/C8H16N2O3/c1-3-9-7(11)10-6-8(2)12-4-5-13-8/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyWJIPLIJBMOZBPI-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.07
Rot. Bonds3

About 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea

1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea (PubChem CID 130621364) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
PubChem CID130621364
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
SMILESCCNC(=O)NCC1(C)OCCO1
InChIInChI=1S/C8H16N2O3/c1-3-9-7(11)10-6-8(2)12-4-5-13-8/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyWJIPLIJBMOZBPI-UHFFFAOYSA-N
XLogP0.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea (CID 130621364) is 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea is CCNC(=O)NCC1(C)OCCO1.
What is the InChIKey of 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea?
The InChIKey is WJIPLIJBMOZBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-9-7(11)10-6-8(2)12-4-5-13-8/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea?
1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea has a molecular weight of 188.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea is sourced from PubChem (CID 130621364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).