ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate

C11H17NO2 — CID 123519400

IUPACethyl 6-propyl-2,3-dihydropyridine-5-carboxylate
SMILESCCCC1=NCCC=C1C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-3-6-10-9(7-5-8-12-10)11(13)14-4-2/h7H,3-6,8H2,1-2H3
InChIKeyQHCKXVDTMHBOHN-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.12
Rot. Bonds4

About ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate

ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate (PubChem CID 123519400) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-propyl-2,3-dihydropyridine-5-carboxylate
PubChem CID123519400
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 6-propyl-2,3-dihydropyridine-5-carboxylate
SMILESCCCC1=NCCC=C1C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-3-6-10-9(7-5-8-12-10)11(13)14-4-2/h7H,3-6,8H2,1-2H3
InChIKeyQHCKXVDTMHBOHN-UHFFFAOYSA-N
XLogP2.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate (CID 123519400) is ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate is CCCC1=NCCC=C1C(=O)OCC.
What is the InChIKey of ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate?
The InChIKey is QHCKXVDTMHBOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-6-10-9(7-5-8-12-10)11(13)14-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate?
ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 123519400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).