prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate

C9H13NO2 — CID 58919294

IUPACprop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1C=CCCC1
InChIInChI=1S/C9H13NO2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2,4,6H,1,3,5,7-8H2
InChIKeySRADIXHFGSYPGN-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds2

About prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate

prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58919294) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID58919294
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameprop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1C=CCCC1
InChIInChI=1S/C9H13NO2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2,4,6H,1,3,5,7-8H2
InChIKeySRADIXHFGSYPGN-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate (CID 58919294) is prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate is C=CCOC(=O)N1C=CCCC1.
What is the InChIKey of prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SRADIXHFGSYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2,4,6H,1,3,5,7-8H2.
What are the key properties of prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate?
prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58919294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).