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

C8H13NO2 — CID 45090207

IUPACmethyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCC[C@@H]1C
InChIInChI=1S/C8H13NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h4,6-7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyKUZSCNMJOAFUDG-ZETCQYMHSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds

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

methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 45090207) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID45090207
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCC[C@@H]1C
InChIInChI=1S/C8H13NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h4,6-7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyKUZSCNMJOAFUDG-ZETCQYMHSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1,2,3,4-tetrahydropyridine-1-carboxylate
CID 11469123
methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate
CID 10879623
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CID 10997267
tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 97290247
Methyl (2R)-2-ethyl-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 10909797
methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate
CID 45089933
1-Boc-2-methyl-1,2,3,4-tetrahydro-pyridine
CID 66545572
ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 67943656
(2R)-2-methyl-3,4-dihydro-2H-pyridine-1-carbaldehyde
CID 89305143
3-Hex-5-en-3-yl-1,3-oxazol-2-one
CID 132538420
2-methyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
CID 141154977
tert-butyl 2-ethyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 156176117

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 45090207) is methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1C=CCC[C@@H]1C.
What is the InChIKey of methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KUZSCNMJOAFUDG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h4,6-7H,3,5H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 45090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).