methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate

C10H17NO4 — CID 91023755

IUPACmethyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCCCC1C1(O)CO1
InChIInChI=1S/C10H17NO4/c1-14-9(12)11-8-5-3-2-4-7(8)10(13)6-15-10/h7-8,13H,2-6H2,1H3,(H,11,12)
InChIKeyZAXLTTRAEXVFFC-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.62
Rot. Bonds2

About methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate

methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate (PubChem CID 91023755) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate
PubChem CID91023755
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCCCC1C1(O)CO1
InChIInChI=1S/C10H17NO4/c1-14-9(12)11-8-5-3-2-4-7(8)10(13)6-15-10/h7-8,13H,2-6H2,1H3,(H,11,12)
InChIKeyZAXLTTRAEXVFFC-UHFFFAOYSA-N
XLogP0.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate?
The IUPAC name of methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate (CID 91023755) is methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate is COC(=O)NC1CCCCC1C1(O)CO1.
What is the InChIKey of methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate?
The InChIKey is ZAXLTTRAEXVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-9(12)11-8-5-3-2-4-7(8)10(13)6-15-10/h7-8,13H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate?
methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate has a molecular weight of 215.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate is sourced from PubChem (CID 91023755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).