2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile

C14H10N4O2 — CID 2807466

IUPAC2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile
SMILESCOc1ccc2c(c1)C(C(C#N)C#N)C(C#N)=C(N)O2
InChIInChI=1S/C14H10N4O2/c1-19-9-2-3-12-10(4-9)13(8(5-15)6-16)11(7-17)14(18)20-12/h2-4,8,13H,18H2,1H3
InChIKeyCNZFIHVBHFKXSQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile

2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile (PubChem CID 2807466) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile.

Molecular Properties

Compound Name2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile
PubChem CID2807466
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile
SMILESCOc1ccc2c(c1)C(C(C#N)C#N)C(C#N)=C(N)O2
InChIInChI=1S/C14H10N4O2/c1-19-9-2-3-12-10(4-9)13(8(5-15)6-16)11(7-17)14(18)20-12/h2-4,8,13H,18H2,1H3
InChIKeyCNZFIHVBHFKXSQ-UHFFFAOYSA-N
XLogP1.53
TPSA115.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile?
The IUPAC name of 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile (CID 2807466) is 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile.
What is the SMILES notation for 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile?
The canonical SMILES for 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile is COc1ccc2c(c1)C(C(C#N)C#N)C(C#N)=C(N)O2.
What is the InChIKey of 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile?
The InChIKey is CNZFIHVBHFKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-19-9-2-3-12-10(4-9)13(8(5-15)6-16)11(7-17)14(18)20-12/h2-4,8,13H,18H2,1H3.
What are the key properties of 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile?
2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile has a molecular weight of 266.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-cyano-6-methoxy-4H-chromen-4-yl)propanedinitrile is sourced from PubChem (CID 2807466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).