3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea

C10H18N2O2 — CID 129281838

IUPAC3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC)C1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-3-6-12(10(13)11-2)9-4-7-14-8-5-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyVENDCFNREHHQNB-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds3

About 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea

3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea (PubChem CID 129281838) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea
PubChem CID129281838
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC)C1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-3-6-12(10(13)11-2)9-4-7-14-8-5-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyVENDCFNREHHQNB-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea (CID 129281838) is 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea is C=CCN(C(=O)NC)C1CCOCC1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea?
The InChIKey is VENDCFNREHHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-6-12(10(13)11-2)9-4-7-14-8-5-9/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea?
3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea has a molecular weight of 198.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-1-prop-2-enylurea is sourced from PubChem (CID 129281838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).