2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile

C18H16N2O2 — CID 67394212

IUPAC2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)c2c(oc1=O)-c1ccccc1CC2
InChIInChI=1S/C18H16N2O2/c19-11-15-16(20-9-3-4-10-20)14-8-7-12-5-1-2-6-13(12)17(14)22-18(15)21/h1-2,5-6H,3-4,7-10H2
InChIKeyKAVGZBJPUILEPK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.88
Rot. Bonds1

About 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile

2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile (PubChem CID 67394212) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile
PubChem CID67394212
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)c2c(oc1=O)-c1ccccc1CC2
InChIInChI=1S/C18H16N2O2/c19-11-15-16(20-9-3-4-10-20)14-8-7-12-5-1-2-6-13(12)17(14)22-18(15)21/h1-2,5-6H,3-4,7-10H2
InChIKeyKAVGZBJPUILEPK-UHFFFAOYSA-N
XLogP2.88
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile (CID 67394212) is 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile is N#Cc1c(N2CCCC2)c2c(oc1=O)-c1ccccc1CC2.
What is the InChIKey of 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile?
The InChIKey is KAVGZBJPUILEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-15-16(20-9-3-4-10-20)14-8-7-12-5-1-2-6-13(12)17(14)22-18(15)21/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile?
2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-pyrrolidin-1-yl-5,6-dihydrobenzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 67394212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).