[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate

C15H25NO2 — CID 146628757

IUPAC[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C=CCN(C2CCCC2)C1
InChIInChI=1S/C15H25NO2/c1-15(2,3)14(17)18-13-9-6-10-16(11-13)12-7-4-5-8-12/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyPCRILTYEILBCAB-CYBMUJFWSA-N
MW251.37 g/mol
LogP2.76
Rot. Bonds2

About [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate

[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate (PubChem CID 146628757) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
PubChem CID146628757
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C=CCN(C2CCCC2)C1
InChIInChI=1S/C15H25NO2/c1-15(2,3)14(17)18-13-9-6-10-16(11-13)12-7-4-5-8-12/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyPCRILTYEILBCAB-CYBMUJFWSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146628673
[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146660261
[1-(thiolan-3-yl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146627832
(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine
CID 167659611
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359
[(1R,4S)-4-chlorocyclohept-2-en-1-yl] 2,2-dimethylpropanoate
CID 131871895
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12846337
[(1S,2E,6S)-6-(2,2-dimethylpropanoyl)-6-methylcyclooct-2-en-1-yl] 2,2-dimethylpropanoate
CID 162467867
1-cycloheptyl-2,5-dihydropyrrole
CID 139880348
[(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 2,2-dimethylpropanoate
CID 10683657
cyclohept-2-en-1-yl 2,2,2-trifluoroacetate
CID 10465632

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate (CID 146628757) is [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1C=CCN(C2CCCC2)C1.
What is the InChIKey of [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is PCRILTYEILBCAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)14(17)18-13-9-6-10-16(11-13)12-7-4-5-8-12/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 251.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 146628757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).