methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate

C10H17NO2 — CID 11745282

IUPACmethyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCC1CCC=CN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyRLFJNCDNGMFPGA-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.53
Rot. Bonds2

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

methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11745282) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID11745282
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCC1CCC=CN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyRLFJNCDNGMFPGA-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 11745282) is methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate is CCCC1CCC=CN1C(=O)OC.
What is the InChIKey of methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RLFJNCDNGMFPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11745282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).