2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile

C19H15N3O — CID 121470715

IUPAC2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile
SMILESCN(C)c1ccc2cc3c(cc2c1)OCC(C=C(C#N)C#N)=C3
InChIInChI=1S/C19H15N3O/c1-22(2)18-4-3-15-7-17-6-13(5-14(10-20)11-21)12-23-19(17)9-16(15)8-18/h3-9H,12H2,1-2H3
InChIKeyCWZNCULKEXBYJV-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.66
Rot. Bonds2

About 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile

2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile (PubChem CID 121470715) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile
PubChem CID121470715
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile
SMILESCN(C)c1ccc2cc3c(cc2c1)OCC(C=C(C#N)C#N)=C3
InChIInChI=1S/C19H15N3O/c1-22(2)18-4-3-15-7-17-6-13(5-14(10-20)11-21)12-23-19(17)9-16(15)8-18/h3-9H,12H2,1-2H3
InChIKeyCWZNCULKEXBYJV-UHFFFAOYSA-N
XLogP3.66
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile (CID 121470715) is 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile is CN(C)c1ccc2cc3c(cc2c1)OCC(C=C(C#N)C#N)=C3.
What is the InChIKey of 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile?
The InChIKey is CWZNCULKEXBYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-22(2)18-4-3-15-7-17-6-13(5-14(10-20)11-21)12-23-19(17)9-16(15)8-18/h3-9H,12H2,1-2H3.
What are the key properties of 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile?
2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile has a molecular weight of 301.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(dimethylamino)-2H-benzo[g]chromen-3-yl]methylidene]propanedinitrile is sourced from PubChem (CID 121470715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).