(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C19H25NO2 — CID 71973265

IUPAC(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](O)C1)C1(Cc2ccccc2)CC2CCC1C2
InChIInChI=1S/C19H25NO2/c21-17-8-9-20(13-17)18(22)19(11-14-4-2-1-3-5-14)12-15-6-7-16(19)10-15/h1-5,15-17,21H,6-13H2/t15?,16?,17-,19?/m0/s1
InChIKeyQHGSYIYMFTYSCV-RFSHTEQGSA-N
MW299.41 g/mol
LogP2.63
Rot. Bonds3

About (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 71973265) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID71973265
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](O)C1)C1(Cc2ccccc2)CC2CCC1C2
InChIInChI=1S/C19H25NO2/c21-17-8-9-20(13-17)18(22)19(11-14-4-2-1-3-5-14)12-15-6-7-16(19)10-15/h1-5,15-17,21H,6-13H2/t15?,16?,17-,19?/m0/s1
InChIKeyQHGSYIYMFTYSCV-RFSHTEQGSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide
CID 129378329
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120655774
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120807139
2-[[(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]amino]acetic acid
CID 125134470
(1S,2S,4S)-N-(2-amino-2-oxoethyl)-2-benzylbicyclo[2.2.1]heptane-2-carboxamide
CID 98773407
(1S,2R,4S)-2-benzyl-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98791951
(1S,2S,4S)-2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98208525
[(1S,2S,4S)-2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-morpholin-4-ylmethanone
CID 98790903
(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129378328
2-[(3-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62738506
(1S,2S,4S)-2-benzyl-N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129378345

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 71973265) is (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(N1CC[C@H](O)C1)C1(Cc2ccccc2)CC2CCC1C2.
What is the InChIKey of (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QHGSYIYMFTYSCV-RFSHTEQGSA-N. The full InChI is InChI=1S/C19H25NO2/c21-17-8-9-20(13-17)18(22)19(11-14-4-2-1-3-5-14)12-15-6-7-16(19)10-15/h1-5,15-17,21H,6-13H2/t15?,16?,17-,19?/m0/s1.
What are the key properties of (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 299.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 71973265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).