4-(3,4-diaminophenyl)morpholine-2-carbonitrile

C11H14N4O — CID 106750984

IUPAC4-(3,4-diaminophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(N)c(N)c2)CCO1
InChIInChI=1S/C11H14N4O/c12-6-9-7-15(3-4-16-9)8-1-2-10(13)11(14)5-8/h1-2,5,9H,3-4,7,13-14H2
InChIKeyVDYXOICKOVJYAK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.58
Rot. Bonds1

About 4-(3,4-diaminophenyl)morpholine-2-carbonitrile

4-(3,4-diaminophenyl)morpholine-2-carbonitrile (PubChem CID 106750984) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(3,4-diaminophenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3,4-diaminophenyl)morpholine-2-carbonitrile
PubChem CID106750984
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-(3,4-diaminophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(N)c(N)c2)CCO1
InChIInChI=1S/C11H14N4O/c12-6-9-7-15(3-4-16-9)8-1-2-10(13)11(14)5-8/h1-2,5,9H,3-4,7,13-14H2
InChIKeyVDYXOICKOVJYAK-UHFFFAOYSA-N
XLogP0.58
TPSA88.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 117009780
4-phenylmorpholine-2-carbonitrile
CID 67651414
4-(2-aminophenyl)morpholine-2-carbonitrile
CID 79674348
4-(3-amino-5-propan-2-yloxyphenyl)morpholine-2-carbonitrile
CID 80735801
4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 79675044
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
4-(2-amino-4-nitrophenyl)morpholine-2-carbonitrile
CID 79675221
4-(4-propanoylphenyl)morpholine-2-carbonitrile
CID 114065848
4-(2-amino-4,5-dimethoxyphenyl)morpholine-2-carbonitrile
CID 83008570
4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile
CID 79675043
4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 79674262
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diaminophenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3,4-diaminophenyl)morpholine-2-carbonitrile (CID 106750984) is 4-(3,4-diaminophenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3,4-diaminophenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3,4-diaminophenyl)morpholine-2-carbonitrile is N#CC1CN(c2ccc(N)c(N)c2)CCO1.
What is the InChIKey of 4-(3,4-diaminophenyl)morpholine-2-carbonitrile?
The InChIKey is VDYXOICKOVJYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-9-7-15(3-4-16-9)8-1-2-10(13)11(14)5-8/h1-2,5,9H,3-4,7,13-14H2.
What are the key properties of 4-(3,4-diaminophenyl)morpholine-2-carbonitrile?
4-(3,4-diaminophenyl)morpholine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diaminophenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 106750984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).