ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate

C10H17NO3 — CID 91153409

IUPACethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate
SMILESCCOC(=O)CC1=C(C)CCCN1O
InChIInChI=1S/C10H17NO3/c1-3-14-10(12)7-9-8(2)5-4-6-11(9)13/h13H,3-7H2,1-2H3
InChIKeyXPWWZRAHCHHJCI-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.70
Rot. Bonds3

About ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate

ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate (PubChem CID 91153409) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate
PubChem CID91153409
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate
SMILESCCOC(=O)CC1=C(C)CCCN1O
InChIInChI=1S/C10H17NO3/c1-3-14-10(12)7-9-8(2)5-4-6-11(9)13/h13H,3-7H2,1-2H3
InChIKeyXPWWZRAHCHHJCI-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-methylidenepyrrolidine-1-carboxylate
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ethyl 5-(azetidin-1-yl)pentanoate
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ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
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ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate?
The IUPAC name of ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate (CID 91153409) is ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate is CCOC(=O)CC1=C(C)CCCN1O.
What is the InChIKey of ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate?
The InChIKey is XPWWZRAHCHHJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(12)7-9-8(2)5-4-6-11(9)13/h13H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate?
ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate has a molecular weight of 199.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate is sourced from PubChem (CID 91153409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).