3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile

C17H14N4O2 — CID 58939698

IUPAC3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile
SMILESN#Cc1c(-c2ncc[nH]2)c(=O)oc2cc(N3CCCC3)ccc12
InChIInChI=1S/C17H14N4O2/c18-10-13-12-4-3-11(21-7-1-2-8-21)9-14(12)23-17(22)15(13)16-19-5-6-20-16/h3-6,9H,1-2,7-8H2,(H,19,20)
InChIKeyXHOCHGYDCAGPMC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.65
Rot. Bonds2

About 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile

3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile (PubChem CID 58939698) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile
PubChem CID58939698
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile
SMILESN#Cc1c(-c2ncc[nH]2)c(=O)oc2cc(N3CCCC3)ccc12
InChIInChI=1S/C17H14N4O2/c18-10-13-12-4-3-11(21-7-1-2-8-21)9-14(12)23-17(22)15(13)16-19-5-6-20-16/h3-6,9H,1-2,7-8H2,(H,19,20)
InChIKeyXHOCHGYDCAGPMC-UHFFFAOYSA-N
XLogP2.65
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile?
The IUPAC name of 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile (CID 58939698) is 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile?
The canonical SMILES for 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile is N#Cc1c(-c2ncc[nH]2)c(=O)oc2cc(N3CCCC3)ccc12.
What is the InChIKey of 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile?
The InChIKey is XHOCHGYDCAGPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-10-13-12-4-3-11(21-7-1-2-8-21)9-14(12)23-17(22)15(13)16-19-5-6-20-16/h3-6,9H,1-2,7-8H2,(H,19,20).
What are the key properties of 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile?
3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-2-oxo-7-pyrrolidin-1-ylchromene-4-carbonitrile is sourced from PubChem (CID 58939698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).