7-(diethylamino)-2-oxochromene-3-carbonitrile

C14H14N2O2 — CID 688937

IUPAC7-(diethylamino)-2-oxochromene-3-carbonitrile
SMILESCCN(CC)c1ccc2cc(C#N)c(=O)oc2c1
InChIInChI=1S/C14H14N2O2/c1-3-16(4-2)12-6-5-10-7-11(9-15)14(17)18-13(10)8-12/h5-8H,3-4H2,1-2H3
InChIKeyLOUYEVRVQGFIFB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.51
Rot. Bonds3

About 7-(diethylamino)-2-oxochromene-3-carbonitrile

7-(diethylamino)-2-oxochromene-3-carbonitrile (PubChem CID 688937) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name7-(diethylamino)-2-oxochromene-3-carbonitrile
PubChem CID688937
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name7-(diethylamino)-2-oxochromene-3-carbonitrile
SMILESCCN(CC)c1ccc2cc(C#N)c(=O)oc2c1
InChIInChI=1S/C14H14N2O2/c1-3-16(4-2)12-6-5-10-7-11(9-15)14(17)18-13(10)8-12/h5-8H,3-4H2,1-2H3
InChIKeyLOUYEVRVQGFIFB-UHFFFAOYSA-N
XLogP2.51
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxochromene-3-carbonitrile?
The IUPAC name of 7-(diethylamino)-2-oxochromene-3-carbonitrile (CID 688937) is 7-(diethylamino)-2-oxochromene-3-carbonitrile.
What is the SMILES notation for 7-(diethylamino)-2-oxochromene-3-carbonitrile?
The canonical SMILES for 7-(diethylamino)-2-oxochromene-3-carbonitrile is CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-oxochromene-3-carbonitrile?
The InChIKey is LOUYEVRVQGFIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-16(4-2)12-6-5-10-7-11(9-15)14(17)18-13(10)8-12/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-2-oxochromene-3-carbonitrile?
7-(diethylamino)-2-oxochromene-3-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-oxochromene-3-carbonitrile is sourced from PubChem (CID 688937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).