2-anilino-N'-hydroxypropanimidamide

C9H13N3O — CID 77025272

IUPAC2-anilino-N'-hydroxypropanimidamide
SMILESCC(Nc1ccccc1)C(N)=NO
InChIInChI=1S/C9H13N3O/c1-7(9(10)12-13)11-8-5-3-2-4-6-8/h2-7,11,13H,1H3,(H2,10,12)
InChIKeyHOKSHENUOZZMED-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.23
Rot. Bonds3

About 2-anilino-N'-hydroxypropanimidamide

2-anilino-N'-hydroxypropanimidamide (PubChem CID 77025272) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-anilino-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-anilino-N'-hydroxypropanimidamide
PubChem CID77025272
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-anilino-N'-hydroxypropanimidamide
SMILESCC(Nc1ccccc1)C(N)=NO
InChIInChI=1S/C9H13N3O/c1-7(9(10)12-13)11-8-5-3-2-4-6-8/h2-7,11,13H,1H3,(H2,10,12)
InChIKeyHOKSHENUOZZMED-UHFFFAOYSA-N
XLogP1.23
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
methyl 2-anilinopropanoate
CID 3417283
N'-hydroxy-2-[[(1S)-1-phenylethyl]amino]propanimidamide
CID 78992213
2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
CID 77028561
2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
CID 77027050
2-(2-anilino-3-methylbutyl)guanidine;hydroiodide
CID 110915972
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
CID 82867913
(2S)-2-anilinopropanethioic S-acid
CID 87999378
2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77029406

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-hydroxypropanimidamide?
The IUPAC name of 2-anilino-N'-hydroxypropanimidamide (CID 77025272) is 2-anilino-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-anilino-N'-hydroxypropanimidamide?
The canonical SMILES for 2-anilino-N'-hydroxypropanimidamide is CC(Nc1ccccc1)C(N)=NO.
What is the InChIKey of 2-anilino-N'-hydroxypropanimidamide?
The InChIKey is HOKSHENUOZZMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(9(10)12-13)11-8-5-3-2-4-6-8/h2-7,11,13H,1H3,(H2,10,12).
What are the key properties of 2-anilino-N'-hydroxypropanimidamide?
2-anilino-N'-hydroxypropanimidamide has a molecular weight of 179.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-hydroxypropanimidamide is sourced from PubChem (CID 77025272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).