2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile

C14H17N3O — CID 139224277

IUPAC2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2
InChIInChI=1S/C14H17N3O/c1-3-17(4-2)12-6-5-10-7-11(9-15)14(16)18-13(10)8-12/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyLLAOWSOMTXSNPK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile

2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile (PubChem CID 139224277) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile
PubChem CID139224277
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2
InChIInChI=1S/C14H17N3O/c1-3-17(4-2)12-6-5-10-7-11(9-15)14(16)18-13(10)8-12/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyLLAOWSOMTXSNPK-UHFFFAOYSA-N
XLogP2.16
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile (CID 139224277) is 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile is CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2.
What is the InChIKey of 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile?
The InChIKey is LLAOWSOMTXSNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17(4-2)12-6-5-10-7-11(9-15)14(16)18-13(10)8-12/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile?
2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(diethylamino)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 139224277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).