methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate

C11H15NO2 — CID 130011563

IUPACmethyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate
SMILESCOC(=O)NC1CC23CC=CCC12C3
InChIInChI=1S/C11H15NO2/c1-14-9(13)12-8-6-10-4-2-3-5-11(8,10)7-10/h2-3,8H,4-7H2,1H3,(H,12,13)
InChIKeyTYRASRSVBSTRPZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.84
Rot. Bonds1

About methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate

methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate (PubChem CID 130011563) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate
PubChem CID130011563
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate
SMILESCOC(=O)NC1CC23CC=CCC12C3
InChIInChI=1S/C11H15NO2/c1-14-9(13)12-8-6-10-4-2-3-5-11(8,10)7-10/h2-3,8H,4-7H2,1H3,(H,12,13)
InChIKeyTYRASRSVBSTRPZ-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate?
The IUPAC name of methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate (CID 130011563) is methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate.
What is the SMILES notation for methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate?
The canonical SMILES for methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate is COC(=O)NC1CC23CC=CCC12C3.
What is the InChIKey of methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate?
The InChIKey is TYRASRSVBSTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-9(13)12-8-6-10-4-2-3-5-11(8,10)7-10/h2-3,8H,4-7H2,1H3,(H,12,13).
What are the key properties of methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate?
methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate has a molecular weight of 193.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-tricyclo[4.2.1.01,6]non-3-enyl)carbamate is sourced from PubChem (CID 130011563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).