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

C20H18N2O2 — CID 14182631

IUPAC4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCCCC1)O2
InChIInChI=1S/C20H18N2O2/c21-14-15-7-8-18-16(12-15)17(22-11-5-2-6-19(22)23)13-20(24-18)9-3-1-4-10-20/h2,5-8,11-13H,1,3-4,9-10H2
InChIKeyPJIGZPVZSXYUQR-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.70
Rot. Bonds1

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

4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile (PubChem CID 14182631) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile.

Molecular Properties

Compound Name4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile
PubChem CID14182631
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCCCC1)O2
InChIInChI=1S/C20H18N2O2/c21-14-15-7-8-18-16(12-15)17(22-11-5-2-6-19(22)23)13-20(24-18)9-3-1-4-10-20/h2,5-8,11-13H,1,3-4,9-10H2
InChIKeyPJIGZPVZSXYUQR-UHFFFAOYSA-N
XLogP3.70
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.70
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'-cyclohexane]-6-carbonitrile?
The IUPAC name of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile (CID 14182631) is 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile.
What is the SMILES notation for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile?
The canonical SMILES for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile is N#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCCCC1)O2.
What is the InChIKey of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile?
The InChIKey is PJIGZPVZSXYUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-14-15-7-8-18-16(12-15)17(22-11-5-2-6-19(22)23)13-20(24-18)9-3-1-4-10-20/h2,5-8,11-13H,1,3-4,9-10H2.
What are the key properties of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile?
4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.70, 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'-cyclohexane]-6-carbonitrile is sourced from PubChem (CID 14182631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).