methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate

C11H22N2O4 — CID 70629627

IUPACmethyl carbamate;methyl N-(1-methylcyclohexyl)carbamate
SMILESCOC(=O)NC1(C)CCCCC1.COC(N)=O
InChIInChI=1S/C9H17NO2.C2H5NO2/c1-9(10-8(11)12-2)6-4-3-5-7-9;1-5-2(3)4/h3-7H2,1-2H3,(H,10,11);1H3,(H2,3,4)
InChIKeyBODQBLNRKOZDCU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.78
Rot. Bonds1

About methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate

methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate (PubChem CID 70629627) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl carbamate;methyl N-(1-methylcyclohexyl)carbamate
PubChem CID70629627
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl carbamate;methyl N-(1-methylcyclohexyl)carbamate
SMILESCOC(=O)NC1(C)CCCCC1.COC(N)=O
InChIInChI=1S/C9H17NO2.C2H5NO2/c1-9(10-8(11)12-2)6-4-3-5-7-9;1-5-2(3)4/h3-7H2,1-2H3,(H,10,11);1H3,(H2,3,4)
InChIKeyBODQBLNRKOZDCU-UHFFFAOYSA-N
XLogP1.78
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate?
The IUPAC name of methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate (CID 70629627) is methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate.
What is the SMILES notation for methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate?
The canonical SMILES for methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate is COC(=O)NC1(C)CCCCC1.COC(N)=O.
What is the InChIKey of methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate?
The InChIKey is BODQBLNRKOZDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H5NO2/c1-9(10-8(11)12-2)6-4-3-5-7-9;1-5-2(3)4/h3-7H2,1-2H3,(H,10,11);1H3,(H2,3,4).
What are the key properties of methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate?
methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate is sourced from PubChem (CID 70629627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).