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

C19H16N2O2 — CID 14182630

IUPAC4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCCC1)O2
InChIInChI=1S/C19H16N2O2/c20-13-14-6-7-17-15(11-14)16(21-10-4-1-5-18(21)22)12-19(23-17)8-2-3-9-19/h1,4-7,10-12H,2-3,8-9H2
InChIKeyBHKRAXRTPNPHFW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.31
Rot. Bonds1

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

4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile (PubChem CID 14182630) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile.

Molecular Properties

Compound Name4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile
PubChem CID14182630
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCCC1)O2
InChIInChI=1S/C19H16N2O2/c20-13-14-6-7-17-15(11-14)16(21-10-4-1-5-18(21)22)12-19(23-17)8-2-3-9-19/h1,4-7,10-12H,2-3,8-9H2
InChIKeyBHKRAXRTPNPHFW-UHFFFAOYSA-N
XLogP3.31
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.31
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'-cyclopentane]-6-carbonitrile?
The IUPAC name of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile (CID 14182630) is 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile.
What is the SMILES notation for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile?
The canonical SMILES for 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile is N#Cc1ccc2c(c1)C(n1ccccc1=O)=CC1(CCCC1)O2.
What is the InChIKey of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile?
The InChIKey is BHKRAXRTPNPHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-13-14-6-7-17-15(11-14)16(21-10-4-1-5-18(21)22)12-19(23-17)8-2-3-9-19/h1,4-7,10-12H,2-3,8-9H2.
What are the key properties of 4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile?
4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.31, 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'-cyclopentane]-6-carbonitrile is sourced from PubChem (CID 14182630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).