cycloheptylmethyl N-methylcarbamate

C10H19NO2 — CID 57322822

IUPACcycloheptylmethyl N-methylcarbamate
SMILESCNC(=O)OCC1CCCCCC1
InChIInChI=1S/C10H19NO2/c1-11-10(12)13-8-9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyBFSQLOWFAAUKPQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.31
Rot. Bonds2

About cycloheptylmethyl N-methylcarbamate

cycloheptylmethyl N-methylcarbamate (PubChem CID 57322822) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cycloheptylmethyl N-methylcarbamate.

Molecular Properties

Compound Namecycloheptylmethyl N-methylcarbamate
PubChem CID57322822
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecycloheptylmethyl N-methylcarbamate
SMILESCNC(=O)OCC1CCCCCC1
InChIInChI=1S/C10H19NO2/c1-11-10(12)13-8-9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyBFSQLOWFAAUKPQ-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptylmethyl N-methylcarbamate?
The IUPAC name of cycloheptylmethyl N-methylcarbamate (CID 57322822) is cycloheptylmethyl N-methylcarbamate.
What is the SMILES notation for cycloheptylmethyl N-methylcarbamate?
The canonical SMILES for cycloheptylmethyl N-methylcarbamate is CNC(=O)OCC1CCCCCC1.
What is the InChIKey of cycloheptylmethyl N-methylcarbamate?
The InChIKey is BFSQLOWFAAUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-10(12)13-8-9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of cycloheptylmethyl N-methylcarbamate?
cycloheptylmethyl N-methylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl N-methylcarbamate is sourced from PubChem (CID 57322822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).