4-(2-cyanopropanoyl)morpholine-2-carbonitrile

C9H11N3O2 — CID 78996355

IUPAC4-(2-cyanopropanoyl)morpholine-2-carbonitrile
SMILESCC(C#N)C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H11N3O2/c1-7(4-10)9(13)12-2-3-14-8(5-11)6-12/h7-8H,2-3,6H2,1H3
InChIKeyMNMLXPPEXXKMFN-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.10
Rot. Bonds1

About 4-(2-cyanopropanoyl)morpholine-2-carbonitrile

4-(2-cyanopropanoyl)morpholine-2-carbonitrile (PubChem CID 78996355) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(2-cyanopropanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanopropanoyl)morpholine-2-carbonitrile
PubChem CID78996355
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(2-cyanopropanoyl)morpholine-2-carbonitrile
SMILESCC(C#N)C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H11N3O2/c1-7(4-10)9(13)12-2-3-14-8(5-11)6-12/h7-8H,2-3,6H2,1H3
InChIKeyMNMLXPPEXXKMFN-UHFFFAOYSA-N
XLogP-0.10
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-cyanopropanoyl)morpholine-2-carbonitrile (CID 78996355) is 4-(2-cyanopropanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-cyanopropanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-cyanopropanoyl)morpholine-2-carbonitrile is CC(C#N)C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(2-cyanopropanoyl)morpholine-2-carbonitrile?
The InChIKey is MNMLXPPEXXKMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(4-10)9(13)12-2-3-14-8(5-11)6-12/h7-8H,2-3,6H2,1H3.
What are the key properties of 4-(2-cyanopropanoyl)morpholine-2-carbonitrile?
4-(2-cyanopropanoyl)morpholine-2-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78996355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).