(2,3-diaminophenyl)-morpholin-4-ylmethanone

C11H15N3O2 — CID 54188281

IUPAC(2,3-diaminophenyl)-morpholin-4-ylmethanone
SMILESNc1cccc(C(=O)N2CCOCC2)c1N
InChIInChI=1S/C11H15N3O2/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-16-7-5-14/h1-3H,4-7,12-13H2
InChIKeyPGRGCVROXRYZGW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds1

About (2,3-diaminophenyl)-morpholin-4-ylmethanone

(2,3-diaminophenyl)-morpholin-4-ylmethanone (PubChem CID 54188281) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2,3-diaminophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-diaminophenyl)-morpholin-4-ylmethanone
PubChem CID54188281
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2,3-diaminophenyl)-morpholin-4-ylmethanone
SMILESNc1cccc(C(=O)N2CCOCC2)c1N
InChIInChI=1S/C11H15N3O2/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-16-7-5-14/h1-3H,4-7,12-13H2
InChIKeyPGRGCVROXRYZGW-UHFFFAOYSA-N
XLogP0.32
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-diaminophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2,3-diaminophenyl)-morpholin-4-ylmethanone (CID 54188281) is (2,3-diaminophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,3-diaminophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,3-diaminophenyl)-morpholin-4-ylmethanone is Nc1cccc(C(=O)N2CCOCC2)c1N.
What is the InChIKey of (2,3-diaminophenyl)-morpholin-4-ylmethanone?
The InChIKey is PGRGCVROXRYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-16-7-5-14/h1-3H,4-7,12-13H2.
What are the key properties of (2,3-diaminophenyl)-morpholin-4-ylmethanone?
(2,3-diaminophenyl)-morpholin-4-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diaminophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 54188281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).