1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea

C19H19N3O — CID 10063698

IUPAC1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
SMILESCC1(C)CC(NC(=O)Nc2ccccc2)c2cc(C#N)ccc21
InChIInChI=1S/C19H19N3O/c1-19(2)11-17(15-10-13(12-20)8-9-16(15)19)22-18(23)21-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H2,21,22,23)
InChIKeyZDCYUKJSHYEXLY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.10
Rot. Bonds2

About 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea

1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea (PubChem CID 10063698) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
PubChem CID10063698
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
SMILESCC1(C)CC(NC(=O)Nc2ccccc2)c2cc(C#N)ccc21
InChIInChI=1S/C19H19N3O/c1-19(2)11-17(15-10-13(12-20)8-9-16(15)19)22-18(23)21-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H2,21,22,23)
InChIKeyZDCYUKJSHYEXLY-UHFFFAOYSA-N
XLogP4.10
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea?
The IUPAC name of 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea (CID 10063698) is 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea.
What is the SMILES notation for 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea?
The canonical SMILES for 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea is CC1(C)CC(NC(=O)Nc2ccccc2)c2cc(C#N)ccc21.
What is the InChIKey of 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea?
The InChIKey is ZDCYUKJSHYEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2)11-17(15-10-13(12-20)8-9-16(15)19)22-18(23)21-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea?
1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea has a molecular weight of 305.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea is sourced from PubChem (CID 10063698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).