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

C8H13NO3 — CID 13067814

IUPACethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(O)CC1
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h3,10H,2,4-6H2,1H3
InChIKeySNYVLZHONDYRBW-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.29
Rot. Bonds1

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

ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 13067814) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID13067814
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(O)CC1
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h3,10H,2,4-6H2,1H3
InChIKeySNYVLZHONDYRBW-UHFFFAOYSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12582758
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 15565780
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
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 71434528
ethyl 4-[1-(4-nitrophenyl)propan-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 69375388
tert-butyl 4-(4-ethoxycarbonylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59542587
ethyl 4-[2-(diaminomethylideneamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 144802146
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 13067814) is ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=C(O)CC1.
What is the InChIKey of ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SNYVLZHONDYRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h3,10H,2,4-6H2,1H3.
What are the key properties of ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 13067814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).