(2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone

C13H14N2O2 — CID 141199676

IUPAC(2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone
SMILESC#Cc1ccc(C(=O)N2CCOCC2)c(N)c1
InChIInChI=1S/C13H14N2O2/c1-2-10-3-4-11(12(14)9-10)13(16)15-5-7-17-8-6-15/h1,3-4,9H,5-8,14H2
InChIKeyIWSVXNRDFUAMLU-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.72
Rot. Bonds1

About (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone

(2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone (PubChem CID 141199676) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone
PubChem CID141199676
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone
SMILESC#Cc1ccc(C(=O)N2CCOCC2)c(N)c1
InChIInChI=1S/C13H14N2O2/c1-2-10-3-4-11(12(14)9-10)13(16)15-5-7-17-8-6-15/h1,3-4,9H,5-8,14H2
InChIKeyIWSVXNRDFUAMLU-UHFFFAOYSA-N
XLogP0.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone (CID 141199676) is (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone is C#Cc1ccc(C(=O)N2CCOCC2)c(N)c1.
What is the InChIKey of (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone?
The InChIKey is IWSVXNRDFUAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-10-3-4-11(12(14)9-10)13(16)15-5-7-17-8-6-15/h1,3-4,9H,5-8,14H2.
What are the key properties of (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone?
(2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone has a molecular weight of 230.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethynylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 141199676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).