4-(4-isocyanato-2-pyridinyl)morpholine

C10H11N3O2 — CID 18525762

IUPAC4-(4-isocyanato-2-pyridinyl)morpholine
SMILESO=C=Nc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C10H11N3O2/c14-8-12-9-1-2-11-10(7-9)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKeyLRVCWTODNVVIOK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.89
Rot. Bonds2

About 4-(4-isocyanato-2-pyridinyl)morpholine

4-(4-isocyanato-2-pyridinyl)morpholine (PubChem CID 18525762) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(4-isocyanato-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(4-isocyanato-2-pyridinyl)morpholine
PubChem CID18525762
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-(4-isocyanato-2-pyridinyl)morpholine
SMILESO=C=Nc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C10H11N3O2/c14-8-12-9-1-2-11-10(7-9)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKeyLRVCWTODNVVIOK-UHFFFAOYSA-N
XLogP0.89
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-isocyanato-2-pyridinyl)morpholine?
The IUPAC name of 4-(4-isocyanato-2-pyridinyl)morpholine (CID 18525762) is 4-(4-isocyanato-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(4-isocyanato-2-pyridinyl)morpholine?
The canonical SMILES for 4-(4-isocyanato-2-pyridinyl)morpholine is O=C=Nc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-(4-isocyanato-2-pyridinyl)morpholine?
The InChIKey is LRVCWTODNVVIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-8-12-9-1-2-11-10(7-9)13-3-5-15-6-4-13/h1-2,7H,3-6H2.
What are the key properties of 4-(4-isocyanato-2-pyridinyl)morpholine?
4-(4-isocyanato-2-pyridinyl)morpholine has a molecular weight of 205.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-isocyanato-2-pyridinyl)morpholine is sourced from PubChem (CID 18525762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).