ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate

C19H27NO3 — CID 165351926

IUPACethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(O)(c2ccccc2)CC1C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-2-23-18(21)20-14-19(22,16-11-7-4-8-12-16)13-17(20)15-9-5-3-6-10-15/h4,7-8,11-12,15,17,22H,2-3,5-6,9-10,13-14H2,1H3
InChIKeyHPJZNFSWLWJTMN-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.69
Rot. Bonds3

About ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate

ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate (PubChem CID 165351926) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
PubChem CID165351926
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nameethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(O)(c2ccccc2)CC1C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-2-23-18(21)20-14-19(22,16-11-7-4-8-12-16)13-17(20)15-9-5-3-6-10-15/h4,7-8,11-12,15,17,22H,2-3,5-6,9-10,13-14H2,1H3
InChIKeyHPJZNFSWLWJTMN-UHFFFAOYSA-N
XLogP3.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 12941212
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
ethyl 2-phenylmethoxyazepane-1-carboxylate
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ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
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CID 59356485
ethyl (2R,3R)-1-benzhydryl-3-cyclohexyl-2-methylaziridine-2-carboxylate
CID 135014180
ethyl (1S,6R,8S)-8-phenyl-7-oxabicyclo[4.2.0]octane-8-carboxylate
CID 102068340
ethyl 5-hydroxy-5-pyridin-3-yl-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 139841291
1-O-benzyl 2-O-ethyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate
CID 86597994
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
CID 91750699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate (CID 165351926) is ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate is CCOC(=O)N1CC(O)(c2ccccc2)CC1C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate?
The InChIKey is HPJZNFSWLWJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-23-18(21)20-14-19(22,16-11-7-4-8-12-16)13-17(20)15-9-5-3-6-10-15/h4,7-8,11-12,15,17,22H,2-3,5-6,9-10,13-14H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate?
ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 165351926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).