[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate

C15H19NO2 — CID 98115390

IUPAC[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H19NO2/c17-15(16-14-4-2-1-3-5-14)18-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H,16,17)/t11-,12-,13-/m1/s1
InChIKeyZHGKSZKATLNNMK-JHJVBQTASA-N
MW245.32 g/mol
LogP3.67
Rot. Bonds3

About [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate

[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate (PubChem CID 98115390) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
PubChem CID98115390
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H19NO2/c17-15(16-14-4-2-1-3-5-14)18-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H,16,17)/t11-,12-,13-/m1/s1
InChIKeyZHGKSZKATLNNMK-JHJVBQTASA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
CID 116515206
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylthiourea
CID 18530094
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-phenylthiourea
CID 40547896
[4-amino-3-(phenylcarbamoyloxymethyl)cyclohexyl]-tert-butylcarbamic acid
CID 69286015
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-phenylcarbamate
CID 11871214
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
CID 12650344
2-bicyclo[2.2.1]heptanylmethyl 2,6-dimethoxybenzoate
CID 110190393

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate?
The IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate (CID 98115390) is [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate.
What is the SMILES notation for [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate?
The canonical SMILES for [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OC[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate?
The InChIKey is ZHGKSZKATLNNMK-JHJVBQTASA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(16-14-4-2-1-3-5-14)18-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H,16,17)/t11-,12-,13-/m1/s1.
What are the key properties of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate?
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate is sourced from PubChem (CID 98115390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).