methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate

C10H15NO3 — CID 14387429

IUPACmethyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCC(=O)N1C=C(C(=O)OC)CCC1
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-4-5-8(7-11)10(13)14-2/h7H,3-6H2,1-2H3
InChIKeyAZEGKDLSYROVSP-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.08
Rot. Bonds2

About methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate

methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 14387429) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID14387429
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCC(=O)N1C=C(C(=O)OC)CCC1
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-4-5-8(7-11)10(13)14-2/h7H,3-6H2,1-2H3
InChIKeyAZEGKDLSYROVSP-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 14387429) is methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate is CCC(=O)N1C=C(C(=O)OC)CCC1.
What is the InChIKey of methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is AZEGKDLSYROVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-9(12)11-6-4-5-8(7-11)10(13)14-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate?
methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propanoyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 14387429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).