1-cyclohexyl-3-(oxiran-2-ylmethyl)urea

C10H18N2O2 — CID 102548390

IUPAC1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
SMILESO=C(NCC1CO1)NC1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(11-6-9-7-14-9)12-8-4-2-1-3-5-8/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyYCRGUAJTIDROCH-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.02
Rot. Bonds3

About 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea

1-cyclohexyl-3-(oxiran-2-ylmethyl)urea (PubChem CID 102548390) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
PubChem CID102548390
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
SMILESO=C(NCC1CO1)NC1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(11-6-9-7-14-9)12-8-4-2-1-3-5-8/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyYCRGUAJTIDROCH-UHFFFAOYSA-N
XLogP1.02
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyclohexyl-3-(morpholin-2-ylmethyl)urea
CID 43604010
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 5057406
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclohexyl-3-[(2-methylcyclopropyl)methyl]urea
CID 115582567
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea (CID 102548390) is 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea is O=C(NCC1CO1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea?
The InChIKey is YCRGUAJTIDROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(11-6-9-7-14-9)12-8-4-2-1-3-5-8/h8-9H,1-7H2,(H2,11,12,13).
What are the key properties of 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea?
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea has a molecular weight of 198.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 102548390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).