3-(2-methyloxasilinan-2-yl)propylurea

C9H20N2O2Si — CID 174920420

IUPAC3-(2-methyloxasilinan-2-yl)propylurea
SMILESC[Si]1(CCCNC(N)=O)CCCCO1
InChIInChI=1S/C9H20N2O2Si/c1-14(7-3-2-6-13-14)8-4-5-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)
InChIKeyNKCLLIVIGNZYNK-UHFFFAOYSA-N
MW216.36 g/mol
LogP1.43
Rot. Bonds4

About 3-(2-methyloxasilinan-2-yl)propylurea

3-(2-methyloxasilinan-2-yl)propylurea (PubChem CID 174920420) has the molecular formula C9H20N2O2Si and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-(2-methyloxasilinan-2-yl)propylurea.

Molecular Properties

Compound Name3-(2-methyloxasilinan-2-yl)propylurea
PubChem CID174920420
Molecular FormulaC9H20N2O2Si
Molecular Weight216.36 g/mol
Exact Mass216.13
IUPAC Name3-(2-methyloxasilinan-2-yl)propylurea
SMILESC[Si]1(CCCNC(N)=O)CCCCO1
InChIInChI=1S/C9H20N2O2Si/c1-14(7-3-2-6-13-14)8-4-5-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)
InChIKeyNKCLLIVIGNZYNK-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxasilinan-2-yl)propylurea?
The IUPAC name of 3-(2-methyloxasilinan-2-yl)propylurea (CID 174920420) is 3-(2-methyloxasilinan-2-yl)propylurea.
What is the SMILES notation for 3-(2-methyloxasilinan-2-yl)propylurea?
The canonical SMILES for 3-(2-methyloxasilinan-2-yl)propylurea is C[Si]1(CCCNC(N)=O)CCCCO1.
What is the InChIKey of 3-(2-methyloxasilinan-2-yl)propylurea?
The InChIKey is NKCLLIVIGNZYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2Si/c1-14(7-3-2-6-13-14)8-4-5-11-9(10)12/h2-8H2,1H3,(H3,10,11,12).
What are the key properties of 3-(2-methyloxasilinan-2-yl)propylurea?
3-(2-methyloxasilinan-2-yl)propylurea has a molecular weight of 216.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxasilinan-2-yl)propylurea is sourced from PubChem (CID 174920420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).