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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Related Compounds

methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
methyl N-[(1R,6R)-6-iodocyclohex-3-en-1-yl]carbamate
CID 90482110
methyl N-[(1S,6S)-6-iodo-1-methylcyclohex-3-en-1-yl]carbamate
CID 90481983
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
methyl N-(2-tert-butylcyclopropyl)carbamate
CID 176792814
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
CID 11074200

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).