2-isocyano-1-morpholin-4-ylethanone

C7H10N2O2 — CID 6455475

IUPAC2-isocyano-1-morpholin-4-ylethanone
SMILES[C-]#[N+]CC(=O)N1CCOCC1
InChIInChI=1S/C7H10N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h2-6H2
InChIKeyNFXRGAXRBOBIEQ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.24
Rot. Bonds1

About 2-isocyano-1-morpholin-4-ylethanone

2-isocyano-1-morpholin-4-ylethanone (PubChem CID 6455475) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-isocyano-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-isocyano-1-morpholin-4-ylethanone
PubChem CID6455475
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-isocyano-1-morpholin-4-ylethanone
SMILES[C-]#[N+]CC(=O)N1CCOCC1
InChIInChI=1S/C7H10N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h2-6H2
InChIKeyNFXRGAXRBOBIEQ-UHFFFAOYSA-N
XLogP-0.24
TPSA33.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-isocyano-1-morpholin-4-ylethanone?
The IUPAC name of 2-isocyano-1-morpholin-4-ylethanone (CID 6455475) is 2-isocyano-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-isocyano-1-morpholin-4-ylethanone?
The canonical SMILES for 2-isocyano-1-morpholin-4-ylethanone is [C-]#[N+]CC(=O)N1CCOCC1.
What is the InChIKey of 2-isocyano-1-morpholin-4-ylethanone?
The InChIKey is NFXRGAXRBOBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h2-6H2.
What are the key properties of 2-isocyano-1-morpholin-4-ylethanone?
2-isocyano-1-morpholin-4-ylethanone has a molecular weight of 154.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-1-morpholin-4-ylethanone is sourced from PubChem (CID 6455475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).