4-(4-isocyanophenyl)morpholine

C11H12N2O — CID 2771564

IUPAC4-(4-isocyanophenyl)morpholine
SMILES[C-]#[N+]c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H12N2O/c1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h2-5H,6-9H2
InChIKeyTVMUDUURDNRXNZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.07
Rot. Bonds1

About 4-(4-isocyanophenyl)morpholine

4-(4-isocyanophenyl)morpholine (PubChem CID 2771564) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(4-isocyanophenyl)morpholine.

Molecular Properties

Compound Name4-(4-isocyanophenyl)morpholine
PubChem CID2771564
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(4-isocyanophenyl)morpholine
SMILES[C-]#[N+]c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H12N2O/c1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h2-5H,6-9H2
InChIKeyTVMUDUURDNRXNZ-UHFFFAOYSA-N
XLogP2.07
TPSA16.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
hexafluoroarsenic(1-);4-morpholin-4-ylbenzenediazonium
CID 20529308
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
5-[3-(4-isocyanophenyl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 159472513
4-(4-ethylphenyl)morpholine
CID 20576442
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
N-fluoro-4-morpholin-4-ylaniline
CID 141098997

Frequently Asked Questions

What is the IUPAC name of 4-(4-isocyanophenyl)morpholine?
The IUPAC name of 4-(4-isocyanophenyl)morpholine (CID 2771564) is 4-(4-isocyanophenyl)morpholine.
What is the SMILES notation for 4-(4-isocyanophenyl)morpholine?
The canonical SMILES for 4-(4-isocyanophenyl)morpholine is [C-]#[N+]c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-isocyanophenyl)morpholine?
The InChIKey is TVMUDUURDNRXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h2-5H,6-9H2.
What are the key properties of 4-(4-isocyanophenyl)morpholine?
4-(4-isocyanophenyl)morpholine has a molecular weight of 188.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-isocyanophenyl)morpholine is sourced from PubChem (CID 2771564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).