[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate

C15H17NO2 — CID 98073845

IUPAC[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1CC2C[C@H]3C1[C@@H]3C2
InChIInChI=1S/C15H17NO2/c17-15(16-10-4-2-1-3-5-10)18-13-8-9-6-11-12(7-9)14(11)13/h1-5,9,11-14H,6-8H2,(H,16,17)/t9?,11-,12-,13-,14?/m1/s1
InChIKeyDPTJUSUIZBCKDT-QLCGTBKRSA-N
MW243.31 g/mol
LogP3.28
Rot. Bonds2

About [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate

[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate (PubChem CID 98073845) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
PubChem CID98073845
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1CC2C[C@H]3C1[C@@H]3C2
InChIInChI=1S/C15H17NO2/c17-15(16-10-4-2-1-3-5-10)18-13-8-9-6-11-12(7-9)14(11)13/h1-5,9,11-14H,6-8H2,(H,16,17)/t9?,11-,12-,13-,14?/m1/s1
InChIKeyDPTJUSUIZBCKDT-QLCGTBKRSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 101433203
[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 23229913
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
oxetan-3-yl N-phenylcarbamate
CID 54313632
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl N-(4-chlorophenyl)carbamate
CID 5084152
[(1R,2R,3S,4S)-3-acetamido-2-methylsulfanyl-4-(phenylcarbamoyloxy)cyclopentyl] acetate
CID 10713940
[(1S,2R,3R,5R,7R,8R,9R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl] N-(4-methylphenyl)carbamate
CID 98142011
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate
CID 171976389
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate?
The IUPAC name of [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate (CID 98073845) is [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate.
What is the SMILES notation for [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate?
The canonical SMILES for [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@@H]1CC2C[C@H]3C1[C@@H]3C2.
What is the InChIKey of [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate?
The InChIKey is DPTJUSUIZBCKDT-QLCGTBKRSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(16-10-4-2-1-3-5-10)18-13-8-9-6-11-12(7-9)14(11)13/h1-5,9,11-14H,6-8H2,(H,16,17)/t9?,11-,12-,13-,14?/m1/s1.
What are the key properties of [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate?
[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate has a molecular weight of 243.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate is sourced from PubChem (CID 98073845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).