8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate

C17H21NO2 — CID 2976296

IUPAC8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CC2CC1C1CCCC21
InChIInChI=1S/C17H21NO2/c19-17(18-12-5-2-1-3-6-12)20-16-10-11-9-15(16)14-8-4-7-13(11)14/h1-3,5-6,11,13-16H,4,7-10H2,(H,18,19)
InChIKeyBSSGYMIQTPTXKN-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.06
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate

8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate (PubChem CID 2976296) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate
PubChem CID2976296
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CC2CC1C1CCCC21
InChIInChI=1S/C17H21NO2/c19-17(18-12-5-2-1-3-6-12)20-16-10-11-9-15(16)14-8-4-7-13(11)14/h1-3,5-6,11,13-16H,4,7-10H2,(H,18,19)
InChIKeyBSSGYMIQTPTXKN-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate
CID 57399103
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate
CID 51682677
2-Isopropyl-5-methylcyclohexyl phenylcarbamate
CID 10265438
5-bicyclo[2.2.1]hept-2-enylmethyl N-phenylcarbamate
CID 296903
Octahydro-2,5-methano2hindeno(12B)oxiren3YL N(3(trifluoromethyl)phenyl)carbamate
CID 332439
(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate
CID 5238932
Decahydronaphthalen-1-yl phenylcarbamate
CID 290098
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate
CID 51563610
[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
CID 102093380
[(1S,3R,8R)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl] N-phenylcarbamate
CID 10521753
[(1R,3R,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl] N-phenylcarbamate
CID 10689128

Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate (CID 2976296) is 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate is O=C(Nc1ccccc1)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate?
The InChIKey is BSSGYMIQTPTXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(18-12-5-2-1-3-6-12)20-16-10-11-9-15(16)14-8-4-7-13(11)14/h1-3,5-6,11,13-16H,4,7-10H2,(H,18,19).
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate?
8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate has a molecular weight of 271.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyl N-phenylcarbamate is sourced from PubChem (CID 2976296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).