ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C12H20N2O2 — CID 12582758

IUPACethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(N2CCCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-2-16-12(15)14-9-5-11(6-10-14)13-7-3-4-8-13/h5H,2-4,6-10H2,1H3
InChIKeyBOBUJEPCIKNLDK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.83
Rot. Bonds2

About ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 12582758) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID12582758
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(N2CCCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-2-16-12(15)14-9-5-11(6-10-14)13-7-3-4-8-13/h5H,2-4,6-10H2,1H3
InChIKeyBOBUJEPCIKNLDK-UHFFFAOYSA-N
XLogP1.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57230016
ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 13067814
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 15565780
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
ethyl 4-[2-(azepan-1-yl)-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxylate
CID 46260454
diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate
CID 19392563
4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate
CID 2339609
ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 12582758) is ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=C(N2CCCC2)CC1.
What is the InChIKey of ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BOBUJEPCIKNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-16-12(15)14-9-5-11(6-10-14)13-7-3-4-8-13/h5H,2-4,6-10H2,1H3.
What are the key properties of ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12582758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).