(3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone

C12H15N3O2 — CID 144998391

IUPAC(3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone
SMILES[H]/N=C/c1ccc(C(=O)N2CCOCC2)cc1N
InChIInChI=1S/C12H15N3O2/c13-8-10-2-1-9(7-11(10)14)12(16)15-3-5-17-6-4-15/h1-2,7-8,13H,3-6,14H2/b13-8+
InChIKeyCWWMVLZHHZAQMW-MDWZMJQESA-N
MW233.27 g/mol
LogP0.74
Rot. Bonds2

About (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone

(3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone (PubChem CID 144998391) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone
PubChem CID144998391
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone
SMILES[H]/N=C/c1ccc(C(=O)N2CCOCC2)cc1N
InChIInChI=1S/C12H15N3O2/c13-8-10-2-1-9(7-11(10)14)12(16)15-3-5-17-6-4-15/h1-2,7-8,13H,3-6,14H2/b13-8+
InChIKeyCWWMVLZHHZAQMW-MDWZMJQESA-N
XLogP0.74
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
[4-[2-(4-amino-3-methanimidoylanilino)-1,3-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 89344364
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone (CID 144998391) is (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone is [H]/N=C/c1ccc(C(=O)N2CCOCC2)cc1N.
What is the InChIKey of (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone?
The InChIKey is CWWMVLZHHZAQMW-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N3O2/c13-8-10-2-1-9(7-11(10)14)12(16)15-3-5-17-6-4-15/h1-2,7-8,13H,3-6,14H2/b13-8+.
What are the key properties of (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone?
(3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone has a molecular weight of 233.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methanimidoylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 144998391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).