4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile

C18H14N2O2 — CID 19347964

IUPAC4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCC1)O2
InChIInChI=1S/C18H14N2O2/c19-12-13-5-6-16-14(10-13)15(11-18(22-16)7-3-8-18)20-9-2-1-4-17(20)21/h1-2,4-6,9-11H,3,7-8H2
InChIKeyXSUDSKGASUJWCO-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.92
Rot. Bonds1

About 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile

4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile (PubChem CID 19347964) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile.

Molecular Properties

Compound Name4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile
PubChem CID19347964
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCC1)O2
InChIInChI=1S/C18H14N2O2/c19-12-13-5-6-16-14(10-13)15(11-18(22-16)7-3-8-18)20-9-2-1-4-17(20)21/h1-2,4-6,9-11H,3,7-8H2
InChIKeyXSUDSKGASUJWCO-UHFFFAOYSA-N
XLogP2.92
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile?
The IUPAC name of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile (CID 19347964) is 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile.
What is the SMILES notation for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile?
The canonical SMILES for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile is N#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCC1)O2.
What is the InChIKey of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile?
The InChIKey is XSUDSKGASUJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-12-13-5-6-16-14(10-13)15(11-18(22-16)7-3-8-18)20-9-2-1-4-17(20)21/h1-2,4-6,9-11H,3,7-8H2.
What are the key properties of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile?
4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile has a molecular weight of 290.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile is sourced from PubChem (CID 19347964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).