methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate

C10H17NO2 — CID 93233748

IUPACmethyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCC[C@@H]1CCC=CN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyRLFJNCDNGMFPGA-SECBINFHSA-N
MW183.25 g/mol
LogP2.53
Rot. Bonds2

About methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate

methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 93233748) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID93233748
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCC[C@@H]1CCC=CN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyRLFJNCDNGMFPGA-SECBINFHSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 167528401
methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 166446133
methyl 2-(4-bromophenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437817
methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 162342085
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
CID 175724654
methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate
CID 21348542
methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437813
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
CID 150419156
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 93233748) is methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate is CCC[C@@H]1CCC=CN1C(=O)OC.
What is the InChIKey of methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RLFJNCDNGMFPGA-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 93233748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).