2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile

C15H15N3O — CID 154800229

IUPAC2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCOC(C2CC2)C1
InChIInChI=1S/C15H15N3O/c16-8-12-2-1-3-13(9-17)15(12)18-6-7-19-14(10-18)11-4-5-11/h1-3,11,14H,4-7,10H2
InChIKeyBSJJCIOFPHFSLC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.05
Rot. Bonds2

About 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile

2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile (PubChem CID 154800229) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile
PubChem CID154800229
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCOC(C2CC2)C1
InChIInChI=1S/C15H15N3O/c16-8-12-2-1-3-13(9-17)15(12)18-6-7-19-14(10-18)11-4-5-11/h1-3,11,14H,4-7,10H2
InChIKeyBSJJCIOFPHFSLC-UHFFFAOYSA-N
XLogP2.05
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile (CID 154800229) is 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1N1CCOC(C2CC2)C1.
What is the InChIKey of 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile?
The InChIKey is BSJJCIOFPHFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-12-2-1-3-13(9-17)15(12)18-6-7-19-14(10-18)11-4-5-11/h1-3,11,14H,4-7,10H2.
What are the key properties of 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile?
2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 154800229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).