N'-hydroxy-3-naphthalen-1-yloxypropanimidamide

C13H14N2O2 — CID 54008865

IUPACN'-hydroxy-3-naphthalen-1-yloxypropanimidamide
SMILESNC(CCOc1cccc2ccccc12)=NO
InChIInChI=1S/C13H14N2O2/c14-13(15-16)8-9-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,16H,8-9H2,(H2,14,15)
InChIKeyKQWCGAAGHWZDPD-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.36
Rot. Bonds4

About N'-hydroxy-3-naphthalen-1-yloxypropanimidamide

N'-hydroxy-3-naphthalen-1-yloxypropanimidamide (PubChem CID 54008865) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N'-hydroxy-3-naphthalen-1-yloxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-naphthalen-1-yloxypropanimidamide
PubChem CID54008865
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN'-hydroxy-3-naphthalen-1-yloxypropanimidamide
SMILESNC(CCOc1cccc2ccccc12)=NO
InChIInChI=1S/C13H14N2O2/c14-13(15-16)8-9-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,16H,8-9H2,(H2,14,15)
InChIKeyKQWCGAAGHWZDPD-UHFFFAOYSA-N
XLogP2.36
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-naphthalen-1-yloxypropanimidamide?
The IUPAC name of N'-hydroxy-3-naphthalen-1-yloxypropanimidamide (CID 54008865) is N'-hydroxy-3-naphthalen-1-yloxypropanimidamide.
What is the SMILES notation for N'-hydroxy-3-naphthalen-1-yloxypropanimidamide?
The canonical SMILES for N'-hydroxy-3-naphthalen-1-yloxypropanimidamide is NC(CCOc1cccc2ccccc12)=NO.
What is the InChIKey of N'-hydroxy-3-naphthalen-1-yloxypropanimidamide?
The InChIKey is KQWCGAAGHWZDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13(15-16)8-9-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,16H,8-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-3-naphthalen-1-yloxypropanimidamide?
N'-hydroxy-3-naphthalen-1-yloxypropanimidamide has a molecular weight of 230.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-naphthalen-1-yloxypropanimidamide is sourced from PubChem (CID 54008865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).