3-imino-3-morpholin-4-ylpropanenitrile

C7H11N3O — CID 14144303

IUPAC3-imino-3-morpholin-4-ylpropanenitrile
SMILES[H]/N=C(\CC#N)N1CCOCC1
InChIInChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h9H,1,3-6H2/b9-7+
InChIKeyBDXZMVISPNPPSP-VQHVLOKHSA-N
MW153.19 g/mol
LogP0.21
Rot. Bonds1

About 3-imino-3-morpholin-4-ylpropanenitrile

3-imino-3-morpholin-4-ylpropanenitrile (PubChem CID 14144303) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-imino-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-imino-3-morpholin-4-ylpropanenitrile
PubChem CID14144303
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-imino-3-morpholin-4-ylpropanenitrile
SMILES[H]/N=C(\CC#N)N1CCOCC1
InChIInChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h9H,1,3-6H2/b9-7+
InChIKeyBDXZMVISPNPPSP-VQHVLOKHSA-N
XLogP0.21
TPSA60.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 3-imino-3-morpholin-4-ylpropanenitrile (CID 14144303) is 3-imino-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 3-imino-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 3-imino-3-morpholin-4-ylpropanenitrile is [H]/N=C(\CC#N)N1CCOCC1.
What is the InChIKey of 3-imino-3-morpholin-4-ylpropanenitrile?
The InChIKey is BDXZMVISPNPPSP-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h9H,1,3-6H2/b9-7+.
What are the key properties of 3-imino-3-morpholin-4-ylpropanenitrile?
3-imino-3-morpholin-4-ylpropanenitrile has a molecular weight of 153.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 14144303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).