prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate

C15H21NO3 — CID 10244500

IUPACprop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESC=CCOC(=O)N1C=CC(=O)CC1C1CCCCC1
InChIInChI=1S/C15H21NO3/c1-2-10-19-15(18)16-9-8-13(17)11-14(16)12-6-4-3-5-7-12/h2,8-9,12,14H,1,3-7,10-11H2
InChIKeyIXGMPFDYQTYTCU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.05
Rot. Bonds3

About prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate

prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 10244500) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID10244500
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameprop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESC=CCOC(=O)N1C=CC(=O)CC1C1CCCCC1
InChIInChI=1S/C15H21NO3/c1-2-10-19-15(18)16-9-8-13(17)11-14(16)12-6-4-3-5-7-12/h2,8-9,12,14H,1,3-7,10-11H2
InChIKeyIXGMPFDYQTYTCU-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 57963541
CID 57963541
CID 123908622
CID 123908622
CID 154393037
CID 154393037
CID 10563522
CID 10563522
CID 10801504
CID 10801504
CID 42645905
CID 42645905

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate (CID 10244500) is prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate is C=CCOC(=O)N1C=CC(=O)CC1C1CCCCC1.
What is the InChIKey of prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is IXGMPFDYQTYTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-10-19-15(18)16-9-8-13(17)11-14(16)12-6-4-3-5-7-12/h2,8-9,12,14H,1,3-7,10-11H2.
What are the key properties of prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 10244500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).