2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile

C21H19N3 — CID 139710410

IUPAC2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile
SMILESCC(C)c1cc(C(C)C)c2c(c1)=Cc1nc(=C(C#N)C#N)ccc1=2
InChIInChI=1S/C21H19N3/c1-12(2)14-7-15-9-20-17(21(15)18(8-14)13(3)4)5-6-19(24-20)16(10-22)11-23/h5-9,12-13H,1-4H3
InChIKeyMVQABTXBJLMQOL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds2

About 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile

2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile (PubChem CID 139710410) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile
PubChem CID139710410
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile
SMILESCC(C)c1cc(C(C)C)c2c(c1)=Cc1nc(=C(C#N)C#N)ccc1=2
InChIInChI=1S/C21H19N3/c1-12(2)14-7-15-9-20-17(21(15)18(8-14)13(3)4)5-6-19(24-20)16(10-22)11-23/h5-9,12-13H,1-4H3
InChIKeyMVQABTXBJLMQOL-UHFFFAOYSA-N
XLogP2.96
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile (CID 139710410) is 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile is CC(C)c1cc(C(C)C)c2c(c1)=Cc1nc(=C(C#N)C#N)ccc1=2.
What is the InChIKey of 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile?
The InChIKey is MVQABTXBJLMQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-12(2)14-7-15-9-20-17(21(15)18(8-14)13(3)4)5-6-19(24-20)16(10-22)11-23/h5-9,12-13H,1-4H3.
What are the key properties of 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile?
2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile has a molecular weight of 313.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-di(propan-2-yl)indeno[2,1-b]pyridin-2-ylidene]propanedinitrile is sourced from PubChem (CID 139710410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).