propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate

C10H14N2O2 — CID 123508449

IUPACpropan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OC(=O)N1CC=C(C#N)CC1
InChIInChI=1S/C10H14N2O2/c1-8(2)14-10(13)12-5-3-9(7-11)4-6-12/h3,8H,4-6H2,1-2H3
InChIKeyKYQPVLBQGDTIOI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.69
Rot. Bonds1

About propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate

propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 123508449) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID123508449
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namepropan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OC(=O)N1CC=C(C#N)CC1
InChIInChI=1S/C10H14N2O2/c1-8(2)14-10(13)12-5-3-9(7-11)4-6-12/h3,8H,4-6H2,1-2H3
InChIKeyKYQPVLBQGDTIOI-UHFFFAOYSA-N
XLogP1.69
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate (CID 123508449) is propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)OC(=O)N1CC=C(C#N)CC1.
What is the InChIKey of propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KYQPVLBQGDTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)14-10(13)12-5-3-9(7-11)4-6-12/h3,8H,4-6H2,1-2H3.
What are the key properties of propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate?
propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 123508449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).