5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile

C21H18N2O2 — CID 164665413

IUPAC5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESCc1c(-c2cccc3ccccc23)oc(=O)c(C#N)c1N1CCCC1
InChIInChI=1S/C21H18N2O2/c1-14-19(23-11-4-5-12-23)18(13-22)21(24)25-20(14)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10H,4-5,11-12H2,1H3
InChIKeyDIEFEIVHUYGYQF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.24
Rot. Bonds2

About 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile

5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile (PubChem CID 164665413) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
PubChem CID164665413
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESCc1c(-c2cccc3ccccc23)oc(=O)c(C#N)c1N1CCCC1
InChIInChI=1S/C21H18N2O2/c1-14-19(23-11-4-5-12-23)18(13-22)21(24)25-20(14)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10H,4-5,11-12H2,1H3
InChIKeyDIEFEIVHUYGYQF-UHFFFAOYSA-N
XLogP4.24
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile (CID 164665413) is 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile is Cc1c(-c2cccc3ccccc23)oc(=O)c(C#N)c1N1CCCC1.
What is the InChIKey of 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The InChIKey is DIEFEIVHUYGYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-19(23-11-4-5-12-23)18(13-22)21(24)25-20(14)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10H,4-5,11-12H2,1H3.
What are the key properties of 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile has a molecular weight of 330.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 164665413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).