2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile

C10H14N4O2 — CID 3601204

IUPAC2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile
SMILESN#CC(C(=O)N1CCOCC1)=C1NCCN1
InChIInChI=1S/C10H14N4O2/c11-7-8(9-12-1-2-13-9)10(15)14-3-5-16-6-4-14/h12-13H,1-6H2
InChIKeyJIGGENXLJDKOCB-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.23
Rot. Bonds1

About 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile

2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile (PubChem CID 3601204) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile.

Molecular Properties

Compound Name2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile
PubChem CID3601204
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile
SMILESN#CC(C(=O)N1CCOCC1)=C1NCCN1
InChIInChI=1S/C10H14N4O2/c11-7-8(9-12-1-2-13-9)10(15)14-3-5-16-6-4-14/h12-13H,1-6H2
InChIKeyJIGGENXLJDKOCB-UHFFFAOYSA-N
XLogP-1.23
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile?
The IUPAC name of 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile (CID 3601204) is 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile.
What is the SMILES notation for 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile?
The canonical SMILES for 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile is N#CC(C(=O)N1CCOCC1)=C1NCCN1.
What is the InChIKey of 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile?
The InChIKey is JIGGENXLJDKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-7-8(9-12-1-2-13-9)10(15)14-3-5-16-6-4-14/h12-13H,1-6H2.
What are the key properties of 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile?
2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile has a molecular weight of 222.25 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile is sourced from PubChem (CID 3601204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).