[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide

C19H15N3O — CID 143944584

IUPAC[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide
SMILESCC1(C)C/C(=N\C#N)c2cc(-c3cccc(C#N)c3)ccc2O1
InChIInChI=1S/C19H15N3O/c1-19(2)10-17(22-12-21)16-9-15(6-7-18(16)23-19)14-5-3-4-13(8-14)11-20/h3-9H,10H2,1-2H3/b22-17+
InChIKeyHGVPWHLTYVNOFU-OQKWZONESA-N
MW301.35 g/mol
LogP4.06
Rot. Bonds1

About [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide

[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide (PubChem CID 143944584) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide.

Molecular Properties

Compound Name[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide
PubChem CID143944584
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide
SMILESCC1(C)C/C(=N\C#N)c2cc(-c3cccc(C#N)c3)ccc2O1
InChIInChI=1S/C19H15N3O/c1-19(2)10-17(22-12-21)16-9-15(6-7-18(16)23-19)14-5-3-4-13(8-14)11-20/h3-9H,10H2,1-2H3/b22-17+
InChIKeyHGVPWHLTYVNOFU-OQKWZONESA-N
XLogP4.06
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[6-(3-cyanophenyl)-1'-phenylspiro[3H-chromene-2,4'-piperidine]-4-ylidene]cyanamide
CID 58424642
[6-(3-cyanophenyl)-2-(oxolan-2-ylmethyl)-2,3-dihydrochromen-4-ylidene]cyanamide
CID 58424747
[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide
CID 58424513
CID 157293138
CID 157293138
3-[4-oxo-2-(2,2,6,6-tetramethyloxan-4-yl)-2,3-dihydrochromen-6-yl]benzonitrile
CID 67174400
CID 158733078
CID 158733078
3-(4'-oxospiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,2'-3H-chromene]-6'-yl)benzonitrile
CID 67385677
3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
CID 165376163
[2-(2,2-dimethyloxan-4-yl)-6-(3-isocyanophenyl)-2,3-dihydrochromen-4-ylidene]cyanamide
CID 58424703
3-[4-(4-amino-1-methylpiperidin-4-yl)phenyl]benzonitrile
CID 142248145
3-[4-[10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]phenyl]benzonitrile
CID 167178488
3-[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]benzonitrile
CID 86611492

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide?
The IUPAC name of [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide (CID 143944584) is [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide.
What is the SMILES notation for [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide?
The canonical SMILES for [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide is CC1(C)C/C(=N\C#N)c2cc(-c3cccc(C#N)c3)ccc2O1.
What is the InChIKey of [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide?
The InChIKey is HGVPWHLTYVNOFU-OQKWZONESA-N. The full InChI is InChI=1S/C19H15N3O/c1-19(2)10-17(22-12-21)16-9-15(6-7-18(16)23-19)14-5-3-4-13(8-14)11-20/h3-9H,10H2,1-2H3/b22-17+.
What are the key properties of [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide?
[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide has a molecular weight of 301.35 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide is sourced from PubChem (CID 143944584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).