[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate

C15H27NO2 — CID 14709431

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-11(2)13-7-6-12(3)10-14(13)18-15(17)16-8-4-5-9-16/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyRCKGVDDTPDZBFZ-HZSPNIEDSA-N
MW253.39 g/mol
LogP3.68
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate (PubChem CID 14709431) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate
PubChem CID14709431
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-11(2)13-7-6-12(3)10-14(13)18-15(17)16-8-4-5-9-16/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyRCKGVDDTPDZBFZ-HZSPNIEDSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-2-(2-propanyl)cyclohexyl 2-oxo-1-pyrrolidinecarboxylate
CID 22044534
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate
CID 102352689
(5-methyl-2-propan-2-ylcyclohexyl) N,N-diethylcarbamate
CID 247656
(5-Methyl-2-propan-2-ylcyclohexyl) pyrrolidine-1-carboxylate
CID 10377589
(5-Methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 10468204
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
CID 14709432
Diethyl-carbamic acid 2,3,6-trimethyl-cyclohexyl ester
CID 49787365
(2-propan-2-ylcyclohexyl) N,N-diethylcarbamate
CID 49787366
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
CID 58534256
Diethyl-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
CID 58534333
2-Cyclohexylpropan-2-yl pyrrolidine-1-carboxylate
CID 59148788
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
CID 67459444

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate (CID 14709431) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCCC1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate?
The InChIKey is RCKGVDDTPDZBFZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)13-7-6-12(3)10-14(13)18-15(17)16-8-4-5-9-16/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 14709431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).