(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol

C13H17NO — CID 66394300

IUPAC(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CC2Cc3ccccc32)C1
InChIInChI=1S/C13H17NO/c15-12-5-6-14(9-12)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12,15H,5-9H2/t11?,12-/m1/s1
InChIKeyNNWULFSANZWRNF-PIJUOVFKSA-N
MW203.29 g/mol
LogP1.39
Rot. Bonds2

About (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol

(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol (PubChem CID 66394300) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
PubChem CID66394300
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CC2Cc3ccccc32)C1
InChIInChI=1S/C13H17NO/c15-12-5-6-14(9-12)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12,15H,5-9H2/t11?,12-/m1/s1
InChIKeyNNWULFSANZWRNF-PIJUOVFKSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-ol
CID 79221764
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 66409309
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
CID 102985398
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 66407796
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(chloromethyl)piperidine
CID 66394693
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1-chloroethyl)piperidine
CID 106838163
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66418763
1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109552
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)morpholine-2-carbonitrile
CID 79674788

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol (CID 66394300) is (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol is O[C@@H]1CCN(CC2Cc3ccccc32)C1.
What is the InChIKey of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol?
The InChIKey is NNWULFSANZWRNF-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-5-6-14(9-12)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12,15H,5-9H2/t11?,12-/m1/s1.
What are the key properties of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol?
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 66394300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).