3-(3-aminophenyl)-N-cyanopropanamide

C10H11N3O — CID 115341549

IUPAC3-(3-aminophenyl)-N-cyanopropanamide
SMILESN#CNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C10H11N3O/c11-7-13-10(14)5-4-8-2-1-3-9(12)6-8/h1-3,6H,4-5,12H2,(H,13,14)
InChIKeyKKLMTBQCMNTKJB-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.80
Rot. Bonds3

About 3-(3-aminophenyl)-N-cyanopropanamide

3-(3-aminophenyl)-N-cyanopropanamide (PubChem CID 115341549) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-cyanopropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-cyanopropanamide
PubChem CID115341549
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(3-aminophenyl)-N-cyanopropanamide
SMILESN#CNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C10H11N3O/c11-7-13-10(14)5-4-8-2-1-3-9(12)6-8/h1-3,6H,4-5,12H2,(H,13,14)
InChIKeyKKLMTBQCMNTKJB-UHFFFAOYSA-N
XLogP0.80
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenyl)-N-cyanopropanamide
CID 79193690
3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
CID 115341412
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
CID 83012793
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-cyanopropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-cyanopropanamide (CID 115341549) is 3-(3-aminophenyl)-N-cyanopropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-cyanopropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-cyanopropanamide is N#CNC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-cyanopropanamide?
The InChIKey is KKLMTBQCMNTKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-7-13-10(14)5-4-8-2-1-3-9(12)6-8/h1-3,6H,4-5,12H2,(H,13,14).
What are the key properties of 3-(3-aminophenyl)-N-cyanopropanamide?
3-(3-aminophenyl)-N-cyanopropanamide has a molecular weight of 189.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-cyanopropanamide is sourced from PubChem (CID 115341549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).