tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate

C14H24N2O2 — CID 58101280

IUPACtert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(N2CCCC2)CCC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-10-6-7-12(11-16)15-8-4-5-9-15/h11H,4-10H2,1-3H3
InChIKeyPUHNEYDZPDFOME-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58101280) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID58101280
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(N2CCCC2)CCC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-10-6-7-12(11-16)15-8-4-5-9-15/h11H,4-10H2,1-3H3
InChIKeyPUHNEYDZPDFOME-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 166162716
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CID 154779324
tert-butyl 5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141313728
tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
tert-butyl 5-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 90103303
1-O-tert-butyl 4-O-ethyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 11806783
tert-butyl 5-(4-methoxycarbonylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 177118815
tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 137425775
tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 172561153
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 175484015

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 58101280) is tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C=C(N2CCCC2)CCC1.
What is the InChIKey of tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PUHNEYDZPDFOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-10-6-7-12(11-16)15-8-4-5-9-15/h11H,4-10H2,1-3H3.
What are the key properties of tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58101280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).