trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol

C14H19NO — CID 102733675

IUPACtrans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NCC1Cc2ccccc21
InChIInChI=1S/C14H19NO/c16-14-7-3-6-13(14)15-9-11-8-10-4-1-2-5-12(10)11/h1-2,4-5,11,13-16H,3,6-9H2/t11?,13-,14-/m1/s1
InChIKeyVFLCICLLZURBCJ-HIDCPEKUSA-N
MW217.31 g/mol
LogP1.83
Rot. Bonds3

About trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol (PubChem CID 102733675) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
PubChem CID102733675
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Nametrans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NCC1Cc2ccccc21
InChIInChI=1S/C14H19NO/c16-14-7-3-6-13(14)15-9-11-8-10-4-1-2-5-12(10)11/h1-2,4-5,11,13-16H,3,6-9H2/t11?,13-,14-/m1/s1
InChIKeyVFLCICLLZURBCJ-HIDCPEKUSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol with MolForge

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 66396568
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
CID 66397152
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
CID 64623153
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylazepan-4-amine
CID 65070385
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
CID 76775232
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(3-chlorocyclobutyl)methanamine
CID 66394889
(2R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propan-2-ol
CID 106932270

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol (CID 102733675) is trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1NCC1Cc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol?
The InChIKey is VFLCICLLZURBCJ-HIDCPEKUSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-7-3-6-13(14)15-9-11-8-10-4-1-2-5-12(10)11/h1-2,4-5,11,13-16H,3,6-9H2/t11?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).