1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea

C10H18N2O2 — CID 108913090

IUPAC1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-8(2)12-10(13)11-7-9-3-5-14-6-4-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyGRHFMELKLWXLEE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.39
Rot. Bonds2

About 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea

1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea (PubChem CID 108913090) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
PubChem CID108913090
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-8(2)12-10(13)11-7-9-3-5-14-6-4-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyGRHFMELKLWXLEE-UHFFFAOYSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Oxan-4-ylidenemethyl)-3-propylurea
CID 108913065
1-Cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea
CID 108913092
1-Cyclohexyl-3-(oxan-4-ylidenemethyl)urea
CID 108913095
1-(2-Methylpropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913099
1-(2-Methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913100
1-Butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913101
1-(3-Ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913102
1-Butan-2-yl-3-(oxan-4-ylidenemethyl)urea
CID 108913103
1-Cyclopentyl-3-(oxan-4-ylidenemethyl)urea
CID 108913106
1-(3-Methoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913109
1-(3-Butoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913110
1-Tert-butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913112

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea (CID 108913090) is 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea is CC(C)NC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
The InChIKey is GRHFMELKLWXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)12-10(13)11-7-9-3-5-14-6-4-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea has a molecular weight of 198.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea is sourced from PubChem (CID 108913090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).