propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate

C9H15NO2 — CID 141195045

IUPACpropan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OC(=O)N1C=CCCC1
InChIInChI=1S/C9H15NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h4,6,8H,3,5,7H2,1-2H3
InChIKeyPKPJEWCKSCAWCA-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.14
Rot. Bonds1

About propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate

propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 141195045) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID141195045
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namepropan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OC(=O)N1C=CCCC1
InChIInChI=1S/C9H15NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h4,6,8H,3,5,7H2,1-2H3
InChIKeyPKPJEWCKSCAWCA-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate (CID 141195045) is propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)OC(=O)N1C=CCCC1.
What is the InChIKey of propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PKPJEWCKSCAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate?
propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 141195045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).