(2R)-2-morpholin-4-ylbutanedinitrile

C8H11N3O — CID 92856315

IUPAC(2R)-2-morpholin-4-ylbutanedinitrile
SMILESN#CC[C@H](C#N)N1CCOCC1
InChIInChI=1S/C8H11N3O/c9-2-1-8(7-10)11-3-5-12-6-4-11/h8H,1,3-6H2/t8-/m1/s1
InChIKeyULOCPIAMQAYKIU-MRVPVSSYSA-N
MW165.20 g/mol
LogP0.12
Rot. Bonds2

About (2R)-2-morpholin-4-ylbutanedinitrile

(2R)-2-morpholin-4-ylbutanedinitrile (PubChem CID 92856315) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (2R)-2-morpholin-4-ylbutanedinitrile.

Molecular Properties

Compound Name(2R)-2-morpholin-4-ylbutanedinitrile
PubChem CID92856315
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(2R)-2-morpholin-4-ylbutanedinitrile
SMILESN#CC[C@H](C#N)N1CCOCC1
InChIInChI=1S/C8H11N3O/c9-2-1-8(7-10)11-3-5-12-6-4-11/h8H,1,3-6H2/t8-/m1/s1
InChIKeyULOCPIAMQAYKIU-MRVPVSSYSA-N
XLogP0.12
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-ylbutanedinitrile?
The IUPAC name of (2R)-2-morpholin-4-ylbutanedinitrile (CID 92856315) is (2R)-2-morpholin-4-ylbutanedinitrile.
What is the SMILES notation for (2R)-2-morpholin-4-ylbutanedinitrile?
The canonical SMILES for (2R)-2-morpholin-4-ylbutanedinitrile is N#CC[C@H](C#N)N1CCOCC1.
What is the InChIKey of (2R)-2-morpholin-4-ylbutanedinitrile?
The InChIKey is ULOCPIAMQAYKIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-2-1-8(7-10)11-3-5-12-6-4-11/h8H,1,3-6H2/t8-/m1/s1.
What are the key properties of (2R)-2-morpholin-4-ylbutanedinitrile?
(2R)-2-morpholin-4-ylbutanedinitrile has a molecular weight of 165.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-ylbutanedinitrile is sourced from PubChem (CID 92856315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).