(4,4-dimethyloxolan-3-yl)urea

C7H14N2O2 — CID 130700520

IUPAC(4,4-dimethyloxolan-3-yl)urea
SMILESCC1(C)COCC1NC(N)=O
InChIInChI=1S/C7H14N2O2/c1-7(2)4-11-3-5(7)9-6(8)10/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyCYIQGCLDXNNSIF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.08
Rot. Bonds1

About (4,4-dimethyloxolan-3-yl)urea

(4,4-dimethyloxolan-3-yl)urea (PubChem CID 130700520) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4,4-dimethyloxolan-3-yl)urea.

Molecular Properties

Compound Name(4,4-dimethyloxolan-3-yl)urea
PubChem CID130700520
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(4,4-dimethyloxolan-3-yl)urea
SMILESCC1(C)COCC1NC(N)=O
InChIInChI=1S/C7H14N2O2/c1-7(2)4-11-3-5(7)9-6(8)10/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyCYIQGCLDXNNSIF-UHFFFAOYSA-N
XLogP0.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyloxolan-3-yl)urea?
The IUPAC name of (4,4-dimethyloxolan-3-yl)urea (CID 130700520) is (4,4-dimethyloxolan-3-yl)urea.
What is the SMILES notation for (4,4-dimethyloxolan-3-yl)urea?
The canonical SMILES for (4,4-dimethyloxolan-3-yl)urea is CC1(C)COCC1NC(N)=O.
What is the InChIKey of (4,4-dimethyloxolan-3-yl)urea?
The InChIKey is CYIQGCLDXNNSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(2)4-11-3-5(7)9-6(8)10/h5H,3-4H2,1-2H3,(H3,8,9,10).
What are the key properties of (4,4-dimethyloxolan-3-yl)urea?
(4,4-dimethyloxolan-3-yl)urea has a molecular weight of 158.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyloxolan-3-yl)urea is sourced from PubChem (CID 130700520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).