6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile

C17H15ClN2O3 — CID 123132209

IUPAC6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2)oc(=O)c(C#N)c1N1CCOCC1
InChIInChI=1S/C17H15ClN2O3/c1-11-15(20-6-8-22-9-7-20)14(10-19)17(21)23-16(11)12-2-4-13(18)5-3-12/h2-5H,6-9H2,1H3
InChIKeyFKOPRCWKUXSNTK-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.98
Rot. Bonds2

About 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile

6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile (PubChem CID 123132209) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile
PubChem CID123132209
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2)oc(=O)c(C#N)c1N1CCOCC1
InChIInChI=1S/C17H15ClN2O3/c1-11-15(20-6-8-22-9-7-20)14(10-19)17(21)23-16(11)12-2-4-13(18)5-3-12/h2-5H,6-9H2,1H3
InChIKeyFKOPRCWKUXSNTK-UHFFFAOYSA-N
XLogP2.98
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile (CID 123132209) is 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2)oc(=O)c(C#N)c1N1CCOCC1.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile?
The InChIKey is FKOPRCWKUXSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-15(20-6-8-22-9-7-20)14(10-19)17(21)23-16(11)12-2-4-13(18)5-3-12/h2-5H,6-9H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile?
6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile has a molecular weight of 330.77 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-4-morpholin-4-yl-2-oxopyran-3-carbonitrile is sourced from PubChem (CID 123132209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).