methyl N-methyl-N-(3-oxocyclohexyl)carbamate

C9H15NO3 — CID 45119437

IUPACmethyl N-methyl-N-(3-oxocyclohexyl)carbamate
SMILESCOC(=O)N(C)C1CCCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-10(9(12)13-2)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3
InChIKeyJICQALMMGYCIDX-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.20
Rot. Bonds1

About methyl N-methyl-N-(3-oxocyclohexyl)carbamate

methyl N-methyl-N-(3-oxocyclohexyl)carbamate (PubChem CID 45119437) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl N-methyl-N-(3-oxocyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(3-oxocyclohexyl)carbamate
PubChem CID45119437
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl N-methyl-N-(3-oxocyclohexyl)carbamate
SMILESCOC(=O)N(C)C1CCCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-10(9(12)13-2)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3
InChIKeyJICQALMMGYCIDX-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(3-oxocyclohexyl)carbamate?
The IUPAC name of methyl N-methyl-N-(3-oxocyclohexyl)carbamate (CID 45119437) is methyl N-methyl-N-(3-oxocyclohexyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(3-oxocyclohexyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(3-oxocyclohexyl)carbamate is COC(=O)N(C)C1CCCC(=O)C1.
What is the InChIKey of methyl N-methyl-N-(3-oxocyclohexyl)carbamate?
The InChIKey is JICQALMMGYCIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(9(12)13-2)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3.
What are the key properties of methyl N-methyl-N-(3-oxocyclohexyl)carbamate?
methyl N-methyl-N-(3-oxocyclohexyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(3-oxocyclohexyl)carbamate is sourced from PubChem (CID 45119437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).