3-morpholin-2-yl-3-oxopropanenitrile

C7H10N2O2 — CID 20511433

IUPAC3-morpholin-2-yl-3-oxopropanenitrile
SMILESN#CCC(=O)C1CNCCO1
InChIInChI=1S/C7H10N2O2/c8-2-1-6(10)7-5-9-3-4-11-7/h7,9H,1,3-5H2
InChIKeyLAFPDLWWHPTQRC-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.54
Rot. Bonds2

About 3-morpholin-2-yl-3-oxopropanenitrile

3-morpholin-2-yl-3-oxopropanenitrile (PubChem CID 20511433) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-morpholin-2-yl-3-oxopropanenitrile.

Molecular Properties

Compound Name3-morpholin-2-yl-3-oxopropanenitrile
PubChem CID20511433
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-morpholin-2-yl-3-oxopropanenitrile
SMILESN#CCC(=O)C1CNCCO1
InChIInChI=1S/C7H10N2O2/c8-2-1-6(10)7-5-9-3-4-11-7/h7,9H,1,3-5H2
InChIKeyLAFPDLWWHPTQRC-UHFFFAOYSA-N
XLogP-0.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-2-yl-3-oxopropanenitrile?
The IUPAC name of 3-morpholin-2-yl-3-oxopropanenitrile (CID 20511433) is 3-morpholin-2-yl-3-oxopropanenitrile.
What is the SMILES notation for 3-morpholin-2-yl-3-oxopropanenitrile?
The canonical SMILES for 3-morpholin-2-yl-3-oxopropanenitrile is N#CCC(=O)C1CNCCO1.
What is the InChIKey of 3-morpholin-2-yl-3-oxopropanenitrile?
The InChIKey is LAFPDLWWHPTQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-2-1-6(10)7-5-9-3-4-11-7/h7,9H,1,3-5H2.
What are the key properties of 3-morpholin-2-yl-3-oxopropanenitrile?
3-morpholin-2-yl-3-oxopropanenitrile has a molecular weight of 154.17 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-2-yl-3-oxopropanenitrile is sourced from PubChem (CID 20511433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).