N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide

C10H10N2O — CID 174011706

IUPACN'-hydroxy-3-prop-1-ynylbenzenecarboximidamide
SMILESCC#Cc1cccc(C(N)=NO)c1
InChIInChI=1S/C10H10N2O/c1-2-4-8-5-3-6-9(7-8)10(11)12-13/h3,5-7,13H,1H3,(H2,11,12)
InChIKeyHQLHRQPGAKPDES-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.15
Rot. Bonds1

About N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide

N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide (PubChem CID 174011706) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-prop-1-ynylbenzenecarboximidamide
PubChem CID174011706
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN'-hydroxy-3-prop-1-ynylbenzenecarboximidamide
SMILESCC#Cc1cccc(C(N)=NO)c1
InChIInChI=1S/C10H10N2O/c1-2-4-8-5-3-6-9(7-8)10(11)12-13/h3,5-7,13H,1H3,(H2,11,12)
InChIKeyHQLHRQPGAKPDES-UHFFFAOYSA-N
XLogP1.15
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 145422329
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
N'-hydroxy-3-(1-hydroxyethyl)benzenecarboximidamide
CID 87091093
3-[(1R)-1-aminoethyl]-N'-hydroxybenzenecarboximidamide
CID 172793905
3-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 149032687
butyl 3-(N'-hydroxycarbamimidoyl)benzoate
CID 123693701
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
ethane;methyl 3-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 143509300
3-[2-[2-amino-6-(2-methoxyethoxy)quinolin-4-yl]ethynyl]-N'-hydroxybenzenecarboximidamide
CID 134276827

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide (CID 174011706) is N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide is CC#Cc1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide?
The InChIKey is HQLHRQPGAKPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-4-8-5-3-6-9(7-8)10(11)12-13/h3,5-7,13H,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide?
N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide has a molecular weight of 174.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide is sourced from PubChem (CID 174011706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).