4-(dimethylamino)-3-methylidenechromene-4-carbonitrile

C13H14N2O — CID 101472128

IUPAC4-(dimethylamino)-3-methylidenechromene-4-carbonitrile
SMILESC=C1COc2ccccc2C1(C#N)N(C)C
InChIInChI=1S/C13H14N2O/c1-10-8-16-12-7-5-4-6-11(12)13(10,9-14)15(2)3/h4-7H,1,8H2,2-3H3
InChIKeyXDYFJVLLLDVJJW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.92
Rot. Bonds1

About 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile

4-(dimethylamino)-3-methylidenechromene-4-carbonitrile (PubChem CID 101472128) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-3-methylidenechromene-4-carbonitrile
PubChem CID101472128
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(dimethylamino)-3-methylidenechromene-4-carbonitrile
SMILESC=C1COc2ccccc2C1(C#N)N(C)C
InChIInChI=1S/C13H14N2O/c1-10-8-16-12-7-5-4-6-11(12)13(10,9-14)15(2)3/h4-7H,1,8H2,2-3H3
InChIKeyXDYFJVLLLDVJJW-UHFFFAOYSA-N
XLogP1.92
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile?
The IUPAC name of 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile (CID 101472128) is 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile is C=C1COc2ccccc2C1(C#N)N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile?
The InChIKey is XDYFJVLLLDVJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-8-16-12-7-5-4-6-11(12)13(10,9-14)15(2)3/h4-7H,1,8H2,2-3H3.
What are the key properties of 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile?
4-(dimethylamino)-3-methylidenechromene-4-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methylidenechromene-4-carbonitrile is sourced from PubChem (CID 101472128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).