propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

C10H17NO2 — CID 25376

IUPACpropan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCC(C)OC(=O)C1=CCCN(C)C1
InChIInChI=1S/C10H17NO2/c1-8(2)13-10(12)9-5-4-6-11(3)7-9/h5,8H,4,6-7H2,1-3H3
InChIKeyUCCRGRWAACBLFP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds2

About propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 25376) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID25376
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namepropan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCC(C)OC(=O)C1=CCCN(C)C1
InChIInChI=1S/C10H17NO2/c1-8(2)13-10(12)9-5-4-6-11(3)7-9/h5,8H,4,6-7H2,1-3H3
InChIKeyUCCRGRWAACBLFP-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 25376) is propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is CC(C)OC(=O)C1=CCCN(C)C1.
What is the InChIKey of propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is UCCRGRWAACBLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)13-10(12)9-5-4-6-11(3)7-9/h5,8H,4,6-7H2,1-3H3.
What are the key properties of propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 25376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).